IDENTIFICATION OF CHEMICAL
CLASSES ASSOCIATED WITH
EFFECTS ON FISH REPRODUCTION
Final Report
January 1981
By: Howard L Johnson, PhD
Director, Biophysical Chemometrics Program
Bio-Organic Chemistry Laboratory
Howard C Bailey
Director, Aquatic Toxicology Program
Toxicology Laboratory
Prepared for:
Office of Toxic Substances
U.S. ENVIRONMENTAL PROTECTION AGENCY
Washington, D.C. 20460
Attn: Ms. Justine Welch, Project Officer
Contract No. 68-01-5808
SRI Project LSU-8952
Approved by.
W A. Skinner, Vice President
Life Sciences Division
SRI International
333 Ravenswood Avenue
Menlo Park, California 94025
415') 326-6200
Cable: SRI INTL MPK
TWX: 910-373-1246
David C. L Jones, IP
irector
Toxicology Laboratory
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DISCLAIMER
This report has been reviewed by the Office of
Toxic Substances, U.S. Environmental Protection Agency,
and approved for publication. Approval does not
signify that the contents necessarily reflect the view
and policies of the U.S. Environmental Protection
Agency, now does mention of trade names or commercial
products constitute endorsement or recommendation for
use.
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IDENTIFICATION OF CHEMICAL
CLASSES ASSOCIATED WITH
EFFECTS ON FISH REPRODUCTION
Final Report
January 1981
By: Howard L. Johnson, Ph.D.
Director, Biophysical Chemometrics Program
Bio-Organic Chemistry Laboratory
Howard C. Bailey
Director, Aquatic Toxicology Program
Toxicology Laboratory
Prepared for:
Office of Toxic Substances
U.S. ENVIRONMENTAL PROTECTION AGENCY
Washington, D.C. 20460
Attn: Ms. Justine Welch, Project Officer
Contract No. 68-01-5808
SRI Project LSU-8952
-Z_
^international
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CONTENTS
LIST OF FIGURES,
LIST OF TABLES..
ABSTRACT
ACKNOWLEDGMENTS
INTRODUCTION 1
LITERATURE SEARCH AND RETRIEVAL 3
LITERATURE REVIEW AND DATA EXTRACTION AND ORGANIZATION 5
STRUCTURE-ACTIVITY ANALYSIS AND CHEMICALLY INDUCED
FISH REPRODUCTIVE TOXICITY 9
METHODS OF ANALYSIS 13
DATA BASE DEVELOPMENT AND CHARACTERIZATION 21
PRELIMINARY ANALYSIS 31
RESULTS OF SAR ANALYSIS 49
CONCLUSIONS AND RECOMMENDATIONS 69
REFERENCES 73
APPENDIX A - PRIMARY DATA BASE TABLES A-1
APPENDIX B - PHYSICAL PROPERTIES OF CHEMICALS AND
COMMERCIAL PRODUCTION AND USE B-l
lii
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LIST OF FIGURES
Fig. Content
Page
1 Relationship of Potency to Molecular Weight: 72
chemicals
52
2 Relationship of Potency to Molecular Weight: 71
chemicals
53
3 Relationship of Log P to Molecular Weight: 61 chemicals
54
4 Relationship of Log P to Molecular Weight: 55 chemicals
55
5 Relationship of Potency to Log P: 61 chemicals
56
6 Relationship of Potency to Molecular Weight: 61
chemicals
57
7 Relationship of Potency to Log P: 35 chemicals
60
8 Relationship of Potency to Molecular Weight: 35
chemicals
61
9 Relationship of Potency to Molecular Weight: 26
chemicals
62
10 Variations in Potency Values for Individual Compounds
66
11 Relationship of Potency to Molecular Weight: 62
chemicals
67
12 Relationship of Potency to Molecular Weight: 56
chemicals
68
v
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LIST OF TABLES
Table Title Page
1 Comparison of Measured (Literature) and Computed Log P Values 23
2 Distribution of Organic Compound Citations by Class Code 25
3 Occurrence of Test Result Categories in Organic and 26
Inorganic Data Bases
4 The Most Sensitive Response Parameters as Determined by 27
Embryo-Larval and Chronic Fish Studies
5 Breakdown of Organic Compound Citations by Type and Species 28
6 Breakdown of Inorganic Compound Data base by Chemical and 29
Species
7 Assay Methodology Parameters 31
7a Species Names 33
8 Variation of Minimal Toxic Concentration with Test Type and 35
Species
9 Minimal Toxic Concentration Rankings for Different Species 37
10 Organic Chemicals Sorted by Minimal Toxic concentrations 38
Within Chemical Classes
11 Inorganic Chemicals: Minimal Toxic Concentrations, Species, 41
Test Type, and Water Hardness
12 Variations in Reported Minimal Toxic Concentrations of 44
Inorganic Materials
13 Partial Ranking of Inorganic Materials by Toxicity 45
14 Effect of Water Hardness on the Reproductive Toxicity of 46
Heavy Metals
15 Organic Chemicals: Regression Analysis Parameters 47
16 Organic Chemicals: Log P Subset 49
17 Organic Chemicals: Subgroup Classes and 59
Regression Parameters
vii
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ABSTRACT
The available literature on fish reproductive toxicity was reviewed,
abstracted, and compiled in the form of a computerized data base of
organic and inorganic chemicals that have been studied in terms of such
effects. Test methods were classified and water quality data, when
available, were included in the data base. Octanol/water partition
coefficient data for the organic chemicals were also included (from the
literature, if available, or computer-generated from structure, using a
fragment additivity method of calculation). Brief summaries of physical
properties and data on commercial production and use were prepared for
each chemical contained in the data base.
The organic data base was made up of 106 studies involving 72
compounds of varying degrees of purity, distributed among approximately
14 chemical classes. Together, the studies involved six different types
of tests employing one or more of seven different biological endpoints
and 22 different species of fish and varying as to water temperature,
static or flow methodology, nominal or measured concentrations of
compounds, and a variety of water quality conditions, with the latter
being unspecified in the majority of cases.
The working definition of fish reproductive toxicity, dictated by
the data base, included effects on parental reproductive physiology
(spawning and egg production), on egg physiology (survival and
hatchability), and on embryonic tissues (fry deformities, growth, and
survival).
The organic data base was categorized in terms of broad structural
classes; however, these did not provide unambiguous indices of relative
fish reproductive toxicity. Some quantitative refinement was possible
in terms of hydrophobicity and molecular weight correlations that could
be applied to the entire data base or its major chemical subdivisions.
Beyond that, however, test methods and potency data were too variable
and the data base was too structurally diverse to permit refined
analysis in terms of more subtle and discrete structural efects.
Linear relationships between potency and hydrophobicity (log P;
octanol/water partition coefficients) and molecular weight were
demonstrated for the organic data base as a whole and for its two major
chemical subdivions as follows:
1. Hydrophobicity was the primary determinant of potency for a
subgroup of 35 organic compounds in six chemical classes
(nitroaromatics, halogenated aromatics, phenols, halogenated
aliphatic compounds, alkyl aromatics, and esters). This
parameter, together with molecular weight, accounted for nearly
60% of the variation in potency for this subgroup.
ix
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2. Among 61 compounds for which log P data could be obtained,
hydrophobicity was roughly proportional to molecular weight;
compounds that deviated severely from this relationship were
generally unusual in that their structures consisted
predominantly of highly polar fragments.
3. With respect to the organic data base as a whole (72
chemicals), potency was reasonably well correlated with
molecular weight, particularly if two polarity parameters were
included in the correlation to account for the low hydropho-
bicity of ionizable or otherwise highly polar compounds.
Together, these three parameters accounted for nearly 60% of
the variation in potency for the entire organic data base.
4. Hydrophobicity appeared to be the single most important
determinant of potency with respect to fish reproductive
toxicity of the organic chemicals. More specific structural
factors undoubtedly contributed to the differences in
potencies; however, identification of such subtle structural
effects was precluded by the extent of nonstructurally
dependent (experimental) variation in potency data and by the
structural diversity of the data base.
The results provide a data base and methodological framework for future
expansion and refinement, and suggest the predictive utility of such
structure-activity analysis in respect to environmental effects of the
chemicals. Data base expansion, in terms of the numbers and structural
variations of compounds in each chemical class, and refinement, in terms
of true potency data (minimal toxic concentrations) and standardized
test methodology, should allow much more detailed and predlctively
useful structure-activity analyses to be carried out in the future.
This report is submitted in fulfillment of Contract No. 68-01-5808
by SRI International under the sponsorship of the U.S. Environmental
Protection Agency. This report covers the period 19 September 1979 to
31 December 1980.
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ACKNOWLEDGMENTS
Literature search and review and report procurement were conducted
by or under the direction of Dr. Caroline Sigman and Mr. Howard
Bailey. The data were abstracted by Dr. David Liu initially and then by
Mr. Bailey under consultation with Dr. Sigman and Dr. Howard Johnson.
The information contained in articles and reports was evaluated from the
standpoint of aquatic toxicology by Dr. Liu initially and subsequently
by Mr. Bailey. The data base was organized initially by Mr. Bailey
under consultation with Dr. Johnson. Computerization and analysis were
conducted by Dr. Johnson. Summary decriptions of physical properties
and data on commercial production and use for each of the chemicals
cited in this report were prepared by or under the direction of Mrs.
Margaret Mackie. We are grateful to the following individuals and
organizations for their contributions of unpublished data: R. Bentley
and S. Petrocelli (Bionomics, Inc.); W. E. Smith, D. Hansen, G. Veith,
J. Carroll, M. Hardin, and P. Pool (EPA).
xi
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INTRODUCTION
Under the Toxic Substances Control Act (TSCA) of 1976, the Environ-
mental Protection Agency (EPA) is responsible for identifying and regu-
lating chemicals that are hazardous to human health or to the environ-
ment. The number of chemicals potentially subject to EPA jurisdiction
is large (e.g., the TSCA Initial Inventory contains more than 55,000
chemicals), and there are no experimental data on the health and envi-
ronmental effects of many of these chemicals. Because of the prohibi-
tive time and cost of testing every chemical, the EPA must find methods
for identifing those chemicals that have the greatest suspicion of
hazard and that, as such, should be tested. Resource constraints also
require that EPA limit its assessment activities to those chemicals of
greatest risk to human health and the environment.
One approach to estimating hazard potentials of chemicals is to
identify the structural features that are common to chemicals that cause
the hazardous effect(s) under consideration. A qualitative method for
determining such structure-activity relationships is to classify the
candidate chemicals by functional groups that can be associated with the
hazardous effect. After this initial classification is made, other pro-
perties of the chemicals within a structural class (e.g., lipophilicity,
known chemical reactivities, steric considerations) can be used to
further evaluate the estimated hazard potential.
This type of approach has been applied previously to estimating the
hazard potential of chemicals. Examples include (a) a study by Fishbein
for the EPA, in which industrial chemicals were classified according to
their potential for carcinogenicity and mutagenicity; (b) an extension
of Fishbein's analysis carried out for the EPA by SRI, in which the
potential carcinogenicity of untested epoxides, alkyl halides, and vinyl
halides was estimated; and (c) a structure-activity classification based
on functional groups associated with carcinogenicity, which was devel-
oped by SRI for the National Cancer Institute.
The major objectives of this study were to determine from available
data the relationship between the structure of chemicals and their
effect on reproduction in fish and to group the chemicals into classes
according to structure and biologic activity. The results of this study
should aid EPA in identifying other chemicals that might cause general
or specific reproductive effects in fish.
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Our approach to accomplishing these objectives is described in
detail in this report. In brief, it entails performing the following
tasks:
Literature search and report procurement
Data extraction and organization
Development of data base
Structure-activity identification
Chemical grouping.
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LITERATURE SEARCH AND RETRIEVAL
Every effort was made to cover all possible sources of data. This
included extensive bibliographies and reprints available in SRI files
for the period from 1965 to 1977 and earlier. In our search for
pertinent literature on fish reproduction and toxicology published from
1977 to February 1980, the following sources were covered: OHM-TADS
(available under the EPA/NIH Chemical Information System), TOXLINE/
MEDLINE/TOXICOLOGY DATA BANK (computerized data bases developed and
provided by the National Library of Medicine), and CASEARCH (Chemical
Abstracts)/Enviroline/NTIS/SSIE/SCISEARCH (Science Citation Index) (all
computerized data bases available from the Lockheed DIALOG system). As
appropriate, combinations of general keywords or concepts (e.g., fish,
toxicology, aquatic toxicology), specific terms (e.g., hatch, fecundity,
spawn, embryo, trout, minnow, bluegill, other fish by genus and
species), and names of investigators publishing in relevant fields
(e.g., J. M. McKim, D. A. Benoit, J.W. Arthur) were used in the
searches. The search terms used were developed by a literature research
specialist in consultation with the aquatic toxicology experts on the
Project Team. The aquatic toxicology experts reviewed the results of
the searches and selected the literature that was included in the study.
The searches were rerun in May 1980 to identify any relevant new
published material, particularly general studies on structure-activity
relationships in aquatic toxicology. This search update did not reveal
any new information.
If it could not be determined from the title or abstract that the
article did not deal with reproductive effects, the entire article was
requested and evaluated in detail. Journals that routinely publish the
results of studies on the effects of chemicals on fish were also
examined to identify articles dealing with effects on fish reproduc-
tion. Examples of these journals include Transactions of the American
Fisheries Society, Bulletin of Environmental Contamination and
Toxicology, Journal of the Fisheries Research Board of Canada, Water
Research, and the Progressive Fish-Culturist. References cited in
pertinent articles were useful sources of Information.
Other valuable sources of data were publications from the EPA
Ecological Monographs series. Pertinent monographs were generally
identified from information provided by librarians of various EPA
Environmental Research Laboratories. Quarterly reports published by
these laboratories were also useful in identifying sources of unpub-
lished data that could then be contacted in an effort to obtain addi-
tional information.
3
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Other sources of data included two aquatic toxicology laboratories
(Bionomics/ES&G and SRI International) and the Department of Energy.
The quantity of data available was of some concern for the
structure-activity analysis. This concern relates in part to the low
degree of structural diversity within chemical classes compared to over-
all data base diversity and in part to the multiplicity of test vari-
ables. The latter problem is addressed in the Preliminary Analysis
section of this report.
The following specific individuals and organizations were contacted
as potential sources of relevant data: R. Bentley, and S. Petrocelli
(Bionomics, Inc.); D. Mount, W. E. Smith, D. Hansen, G. Veith, J.
Carroll, M. Hardin, A. Pool, and R. Thoren (EPA).
4
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LITERATURE REVIEW AND DATA EXTRACTION AND ORGANIZATION
From each pertinent source of information, we attempted to extract
the following data on the toxicity studies conducted: type of organism;
chemical (grade and purity); test type (static or dynamic) and duration
(chronic, acute, etc.); information on whether the chemical concentra-
tions were measured or nominal; and information on the actual test con-
ditions, such as dissolved oxygen content and water temperature, hard-
ness, alkalinity, acidity, pH, conductivity, and salinity. Since many
of the data sources did not report all of the above parameters, the
amounts of information available on the studies are highly variable.
The types of studies that were reported varied considerably in test
methodologies. Static tests were frequently used to assess acute
effects on eggs, and flow-through tests were commonly used for con-
ducting early-life-stage and multiple-generation studies. Even within
these broad categories, however, there was considerable variation in how
the tests were actually performed. On the basis of these variations,
the tests were classified according to similar methodologies, as
follows:
• Chronic studies: long-term studies in which fish were exposed to
the chemical throughout their reproductive period. In some
studies, offspring from the parental (Fq) fish were also exposed
for a limited time. The Fo fish were initially exposed as eggs
(chronic-egg), fry (chronic-fry), juveniles or adults (chronic-
adult) of the test species. In a similar test, the Fo fish were
exposed as adults throughout the reproductive period, but the
eggs were transferred to clean water and the offspring were
reared in the absence of the test chemicals; this type of test is
referred to as adult-chronic.
• Early-life-stage studies: 30 to 90-day studies that were
initiated with eggs of the test species and continued until the
fry were 30—60 days old. These tests were performed under static
or dynamic conditions.
• Acute-studies: short-term (up to 30 days in the case of
salmonlds) studies that were initiated with eggs of selected
species. Exposure was terminated at or before the time of
hatching.
• Aberrant tests: tests that did not fall into any of the above
categories. Examples of studies in this category included
experiments in which the chemical was administered in the food or
in both the food and water, and studies involving very short,
repeated exposures. Each of these studies was unique and the
methodology in each was uncommon.
5
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Once the studies were placed in the appropriate categories, each
category was further broken down according to whether the test was
performed under static or dynamic conditions, whether warm, cold, or
salt water species were used, and—in the case of the inorganic
chemicals—whether the test was performed in hard or soft water. By
using these categories, we hoped to be able to compare toxicity
relationships on the basis of data from tests using similar exposure
methodologies.
After the tests were categorized according to the methodology used,
the frequency of individual response parameters in the data base was
evaluated. Only eight parameters were reported in enough studies to
serve as a basis for determining a relationship between chemical
structure and effects on fish reproduction. These parameters are:
• Egg survival (ES)—the number or percentage of eggs that survived
during the exposure period. This parameter was used most often
in acute studies.
• Egg hatchability (H)—the number or percentage of eggs that
hatched during the exposure period. This parameter was used in
acute, chronic, and early-life-stage tests.
• Spawns/female (S/F)—the number of spawns per female. This
parameter was used in chronic tests.
• Eggs/female (E/F)—the number of eggs per female. This parameter
was used in chronic tests.
• Eggs/spawn (E/S)—the number of eggs per spawn. This parameter
was used in chronic tests.
• Larval (fry) survival (LS)—the number or percentage of fry
surviving a predetermined exposure period after hatch (usually 30
or 60 days). This parameter was used in chronic and early-life-
stage tests.
• Fry deformities (TM; morphological teratogenesis)—the number or
percentage of deformed fry. This parameter was used in acute,
chronic, and early-life-stage tests.
• Fry growth (G)—the growth (length or weight) of fry surviving a
predetermined exposure period (usually 30 or 60 days). This
parameter was used in chronic and early-life-stage tests.
All available literature and reports were subjected to two
evaluations aimed at filling in data gaps, where possible, and defining
more precisely the methodological details and differences.
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Over 200 individual sets of data are included in the computer data
base. Inorganic compounds constitute nearly 50% of the citations that
involve single chemical entities. An additional 19 citations involve
mixtures of chemicals of a single class (e.g., Aroclors).
The complete sets of data were organized into seven primary tables,
as identified in Appendix A. Five of these are devoted to organic com-
pounds and two are devoted to inorganic compounds. The main table on
organic compounds (Appendix Table 1) and the main table on inorganic
compounds (Appendix Table 2) contain the bulk of information on biolog-
ical testing (species, test concentrations, results, etc.); also
included are purity information and a chemical classification code. For
each of the two main tables, a second table contains the corresponding
bibliographic and water quality data for each case (Appendix Tables 3
and 4). The fifth appendix table applies to organic compounds only and
contains the two-dimensional chemical structure for each compound. The
sixth appendix table is analogous to Appendix Table 1, but consists of
materials that cannot be classed as chemically defined single com-
pounds. The seventh appendix table contains bibliographic and water
quality data for the mixed materials in Appendix Table 6.
The seven primary tables discussed above served as the sources of
data for computer analysis. All manipulations and analyses were done on
secondary tables (copies) that generally contained only those data
necessary for the particular analysis being performed. These secondary
tables are contained within the body of this report. An eighth table in
Appendix A provides chemical names for those compounds that are referred
to in the other tables by shorter common names or trade names. Appendix
Table 9 lists all references for the data that were included in the
analysis. Chemicals (other than mixtures) are also identified by CAS
numbers in Appendix tables. Pertinent references that were obtained and
reviewed after analysis of the data base was completed are summarized in
Table 10 of Appendix A.
Fifteen sets of available data were omitted from the computerized
data base for a number of reasons. The references and reasons for the
omissions are as follows:
1. Measurements made did not correspond to any of the common tests
selected for inclusion in the data base and/or results were in-
complete or inconclusive (9 references).
P. A. Dill and R. C. Saunders. J. Fish Res. Bd. Can. 31, 1936-
1938 (1974).
D. P. Middaugh, J. H. Dean, R. G. Domey, and G. Floyd. Marine
Biol. _46:l-8 (1978).
B. F. Grant and P. M. Mehrle. J. Fish. Res. Bd. Can. 27_, 2225-
2232 (1970).
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G. E. Burdick et al. Trans. Am. Fish Soc. 93, 127-136 (1964).
J. F. Klaverkamp et al. Proc. First Ann. Symp. on Aq, Tox.
(ASTM), 231-240 (1978).
J. G. Eaton. Water Res. 11, 811-817 (1970).
R. Rehwoldt and D. Karimian-Teherani. Bull. Environ. Contam.
Toxicol. L5, 42-446 (1976).
P. C. Schroeder and P. Pendergrass. J. Reprod. Fert. ji8, 327-
330 (1976).
P. H. Davles and W. H. Everhart. Effects of Chemical
Variations in Aquatic Environments. Volume III: Lead Toxicity
to Rainbow Trout and Testing the Application Factor Concept.
EPA-R3-73-011C.
2. The materials studied are not structurally definable as single
chemical entities (6 references).
B. I. Sundarayaj and S. V. Guswami. J. Fish Res. Bd. Can. 29,
435-437 (1972).
R. L. Spehar, E. N. Leonard, and D. L. Defoe. Trans. Am. Fish.
s°c. 107, 354-360 (1978).
D. L. Defoe et al. J. Fish Res. Bd. Can. _35, 997-1002 (1978).
D. F. Amend. Trans. Am. Fish Soc. 103, 73-78 (1974).
R. L. Wilbur and E. W. Whitney. Trans. Am. Fish Soc. 102, 630-
632 (1973).
K.E.F. Hokanson and L. L. Smith, Jr. Trans. Am. Fish. Soc.
100, 1-12 (1971).
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STRUCTURE-ACTIVITY ANALYSIS AND CHEMICALLY
INDUCED FISH REPRODUCTIVE TOXICITY
Structure-activity analysis has been used in a crude, qualitative,
and rather intuitive form by pharmacologists and medicinal chemists for
several decades. As a formal, quantitative, and methodologically de-
fined discipline, however, the origin of the field is perhaps traceable
to the work of Corwin Kansch and his associates and others in the early
1960s.1 Although analysis of structure-activity relationships (SAR) has
been subsequently applied many times to the design and prediction of
useful biological properties of drugs, until quite recently applications
to toxicology have been rather rare and generally somewhat crude by
comparison. If analysis of SAR in general toxicology may be considered
to be at an immature stage, that in the area of aquatic reproductive
toxicity may be considered to be in its infancy; in fact, although a
fair amount of recent work has centered on problems of aquatic bioac-
cumulation of potentially toxic materials, there is a scarcity of
published information on the relationship of structure to toxic effects
on fish reproduction.
Historically, modern methods of quantitative structure-activity
analysis were originally devised in conjunction with studies of
structural effects on chemical reactivity in homologous series of
organic compounds. In physicochemical terms, these "extrathermodynamic"
approaches utilized structural constants whose validity was based on the
assumption of similar transition state geometries. Hence, their appli-
cability is largely limited to homologous series and their validity
increases with the substituent diversity of compounds that have a common
parent nucleus as a major part of their structure. Their utility de-
clines rapidly as the parent nucleus becomes overly simple or funda-
mental (e.g., the benzene ring) and as overall structural diversity
increases. In the latter case, one is forced to rely on more qualita-
tive and subjective methods such as manual classification or (if the
data base Is large and complex) computer methods of pattern recogni-
tion. Neither of these methods has been applied to structure-activity
analysis of inorganic compounds.
It is beyond the scope of this report to review the general area of
SAR. However, it is worth recalling that Hansch'B partitioning of
structural effects into hydrophobic, electronic, and steric factors
continues to be a useful basis for structure-activity analysis today.
Similarly, although pattern recognition techniques2 have gained some
popularity, linear free energy relationships3 continue to be the most
useful in terms of rationalizing SAR in mechanistic terms. Perhaps the
primary utility of pattern recognition is in very large and structurally
diverse data bases, whereas the linear free energy approach is best
9
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applied to series of structurally similar compounds involving numerous
variations on a basic theme (or parent structure). In general, it is
not very productive to expect a steric/electronic linear free energy
relationship to account for activities of a diverse group of chemicals
for which there may be multiple mechanisms and manifestations of
activity (or toxicity).
One factor that has been shown to be of some general utility even
in a series of structurally diverse compounds is hydrophobiclty, defined
in terms of octanol/water partition coefficient (log P).^ The general
importance of log P is not unexpected, considering the basic similari-
ties of hydrophilic/hydrophobic partitioning in all biological systems
and the importance of transport to specific sites for the actions of
drugs, toxicants, etc. Recent work reported by Veith5 clearly illus-
trates this point in terms of predictive log P relationships for both
bioaccumulation and fish toxicity. Electronic effects (Hammett con-
stants) were included in the linear free energy multiple regression for
toxicity applied to ten very similar compounds (substituted phenols).
One of the most general principles of modern pharmacology, which
has been demonstrated many times in drug metabolism studies, is that
foreign compounds are generally detoxified to more polar metabolites
(lower log P values), which are then rapidly excreted via the urine. In
contrast to lipophilic compounds, these hydrophilic metabolites have
little tendency to accumulate in tissues. A number of classic studies
have demonstrated the analogous principle for the case of fish in an
aquatic environment that serves as both the source of foreign materials
and the medium of excretion by way of the gill system.6 The fish are
generally affected by drugs in the water that are relatively hydropho-
bic; relatively polar drugs, however, are rapidly exchanged between the
fish tissue and the aqueous milieu with little or no effect on the fish.
One of the difficulties in applying methods of structure-activity
analysis to fish reproductive toxicity stems from the ambiguity of the
latter term. The working definition of such toxicity, as dictated by
the available data, includes effects on maternal reproductive physiology
(spawning and egg production), on egg physiology (survival and hatcha-
bility), and on embryonic tissues (fry deformities, growth, and
survival). Structure-activity relationships derivable for any one such
effect may not be entirely appropriate for other reproductive effects.
It has been repeatedly pointed out in retrospective structure-activity
studies that a major problem in obtaining statistically valid relation-
ships by using data from different laboratories is the lack of standard-
ization in biological measurements (methods and conditions), even when
the included studies are limited to a single biological end point.
Depending on the size of the data base relative to the number of
variables, the problem is compounded further by the existence of multi-
ple end points and variations in the statistical reliability of the data
to the point where rigorous statistical analysis may be inappropriate.
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Toxic effects of chemicals on fish reproduction are manifested in a
variety of ways. Chemicals can act directly on the egg, causing failure
to hatch, increased fragility, and reduced adhesion qualities, and
impairing development of the embryo in such a way that survival, growth,
and/or morphological characteristics are adversely affected following
hatching. However, it is difficult to determine whether gross effects
(mortality, reduced growth, etc.) on fry and juvenile fish are due to a
reproductively related event (exposure of the egg or parent fish) or to
the chemical acting directly on the fish. Chemicals can affect develop-
ment of reproductive potential by inhibiting the appropriate hormones
and thus subsequent maturation and gametogenesis. Chemical exposure of
adult fish can induce behavioral alterations that inhibit successful
spawning and can reduce viability and numbers of gametes.
A number of tests have been developed to evaluate effects of
chemicals on fish reproduction. Effects on embryos are frequently
determined using acute tests conducted under static conditions. These
tests are terminated at or before the time of hatching and generally use
embryo death, abnormal development, or percent hatch as end points*
Drawbacks to this type of test include the fact that because static
conditions are generally employed, the chemical concentrations do not
remain constant throughout the test due to losses via sorption, volatil-
ization, etc. In addition, because in most cases the eggs have become
water-hardened prior to the time of exposure, there is relatively little
uptake of the toxicant during the exposure period. This tends to result
in the conclusion that the egg stage is relatively insensitive to
chemicals. However, limited data suggest that initiation of exposure
prior to water-hardening increases the effect of the test chemicals.7
Finally, chemical concentrations associated with these tests are often
reported as "nominal," so the actual level of the chemical the eggs are
exposed to is not known. Some of these problems have been reduced by
conducting egg-acute studies under flow-through conditions and/or with
measured chemical concentrations.
Fish embryo-larval studies have become increasingly popular in re-
cent years in an effort to provide a good estimate of chemical toxicity
without expending the time and resources required for full-life-cycle
chronic studies. These tests are usually performed under flow-through
conditions and with measured chemical concentrations. The tests are
initiated with eggs of the test species and continue into the fry-
juvenile period. Total test duration is approximately 30 days for fish
(fathead minnow, etc.) that have a short period of embryo development
and 60-90 days for those species, particularly salmonids, that have
relatively long periods of embryo development. The design of this type
of test permits evaluation of chemical effects on the developing embryo
as well as the young fry. The test does not provide an estimate of the
effects of toxic materials on the reproductive capabilities of adult
fish, nor does it incorporate exposure of the eggs before and during the
water-hardening period. These deficiencies may not be significant in
view of data summarized by McKim7 and Macek and Sleight,8 which indi-
cates that in most cases results from embryo-larval studies very closely
11
-------
approximate those obtained from full life-cycle chronic studies. The
authors point out that overall, newly hatched fry are the most sensitive
life history stage. Impairment of adult reproduction and Fj fry sur-
vival at levels below those affecting newly hatched fry from unexposed
parents appears to occur only for those chemicals that exhibit
cumulative toxicity and/or more than one mode of action (e.g., zinc,
diazinon).
Full-life-cycle chronic studies have traditionally served as the
definitive method for assessing chemical toxicity to fish. Eggs, fry,
juveniles, or adults of the parental generation are exposed up to and
through the reproductive period. The offspring are also exposed to the
chemical for varying periods after they hatch. This test provides
information on a chemical's effects on the Fo generation, including
survival, growth, behavioral alterations, and egg production, as well
as Fi egg mortality and fry survival and growth. Major disadvantages of
chronic studies include the time (approximately 10 months for the fat-
head minnow) and concomitant resources required to complete each
test. In addition, since techniques for spawning fish under test condi-
tions exist for only a few species, life-cycle chronic studies cannot
currently be applied to many species of interest.
12
-------
METHODS OF ANALYSIS
There are two related fundamental approaches to rationalizing bio-
logical activity data for chemicals in terms of known physicochemical
characteristics and effects of the chemicals in or on biological
systems. The first approach assumes that the biological activity data
are at least semiquantitative. That is, the measured response varies
along some known criterion dimension and depends on the potency of the
chemical and/or its concentration in the system. The activity, then, is
based on some combination of measured predictor variables that are given
weights such that the error of prediction is minimized, the prediction
being magnitude of response. This approach, known as multiple regres-
sion analysis, may involve linear or nonlinear combinations of the
predictor variables.
The second approach assumes that the predicted biological activity
is qualitative. That is, the measured criterion response determines
whether the chemical should be classified as belonging to one of K
distinct (and, we hope, nonoverlapping) groups. Group membership may be
binary, in which case the decision to be made is simply whether the
characteristic (e.g., carcinogenicity) is present or absent, as defined
by some a priori criterion. Or the decision may require assignment to
more than two groups, in which case the membership criterion must
consist of more than one binary characteristic. This approach is based
on the "similarity" between known members of a given class and the
object to be classified. The measurable characteristics (features) that
define similarity are chosen so as to minimize misclassification of
unknowns.
The most frequently used of these approaches in structure-activity
analysis is the first one, parametric methods, as typified by the
regression analysis techniques that were popularized by C. Hansch and
his associates. Among the nonparametric methods (the second approach)
are a number of techniques of the pattern-recognition type (nearest
neighbor, cluster analysis, etc.).
It is easy to show that these two approaches are not mutually
exclusive. A multiple regression analysis may be used to predict class
membership by simply assigning the numbers 0 and 1 to the two classes.
Conversely, a quantitative criterion can be divided into K classes for a
classificatory model.
Whichever approach is taken will depend on the nature of the
problem, the characteristics of the criterion, and the nature of the
measurable predictors (independent variables, features, descriptors).
Moreover, the goals and the strategy for achieving those goals are the
same for both approaches. The goals are two:
13
-------
• Maximum success in prediction, with a minimum of errors.
Because a goal of 100% correct prediction is usually
unrealistic, a compromise is necessary that depends, among
other considerations (e.g., economics, resources), on the
relative merits of correct prediction and the consequences of
error (i.e., benefit:risk).
• Some optimal number of predictor variables. This goal obvi-
ously is related to the first one since it partly determines
the success of that goal. However, other factors—both
theoretical and practical—must be considered. Thus, the fewer
variables required to maximize the prediction, the more
theoretically elegant and economical the approach.
An essential requirement for both approaches is the existence of a
suitable criterion measure (or measures) in the case of regression
analysis and well-defined a priori groups in the case of classification
or pattern recognition schemes. That is, it must be possible to deter-
mine unambiguously that a certain response has occurred and—in the case
of regression analysis—its magnitude, or that an object does or does
not belong to the group in question. Although the importance of this
assumption should be obvious, it can easily be ignored or overlooked in
the rush to apply the various techniques that depend on it.
Assuming that a suitable criterion has been established, we can
proceed to select independent features or descriptor variables. These
are measurable attributes that may be expected on a priori grounds to
predict the criterion or discriminate among the various classes. In
lieu of any a priori logic or evidence, an alternative is simply to
measure or describe any or all attributes that are feasible and/or
economical. In this way a pool of features is developed. Given such a
pool, we can begin to select among the features at this time or proceed
directly to the next stage. For the first iteration of the process, the
only limiting consideration that might force feature selection at this
time is the mathematical constraint of requiring more objects than
features in regression analysis and the desirability of having a reason-
able pattern-to-feature ratio (e.g., 3:1).
These approaches facilitate the organization and interpretation of
large amounts of data and, even in their most empirical applications,
can disclose fundamentally meaningful relationships. However, to the
extent that the choice of independent variables (e.g., structural
descriptors, physicochemical parameters) can be guided by sound
theoretical considerations and relevant experimental measurements, the
significance and validity of the relationships disclosed are greatly
enhanced. These correlation approaches simply provide a sound method-
ological framework for the integration of experimental and theoretical
knowledge. The major research effort involves the design and selection
of parameters, be they quantum chemical, linear free energy, etc., that
will lead to the most significant and most enlightening relationships.
14
-------
There is no a priori method of predicting which particular method
will yield the best possible analysis; indeed, a great deal of effort
may be required simply to generate criteria for making such a
decision. It is possible, however, to determine—from an initial
characterization of the data base—what types of methods are most
appropriate and what are the inherent limitations in the data. None of
the methods discussed will yield results of a higher quality than that
of the data to which they are applied; i.e., the statistical validity
and usefulness of the relationships derived will be no better than the
statistical validity of the data analyzed. This seemingly obvious fact
has important, but quite different, connotations relative to the
application of parametric versus nonparametric methods to the present
data base.
The early consideration of pattern-recognition methods was dictated
by the diversity of variables inherent in the data base. Unfortunately,
that diversity also limited the utility of such methods because of the
lack of experimental consistency among studies. Pattern-recognition
methods are essentially classification schemes. Generally, such methods
of multivariate analysis seek to describe SAR in terms of clusters of
effects or potency ranges associated with unique structural features and
other classification parameters in multiparameter space. One of the
criteria for inclusion of a given parameter, however, is that it be
adequately represented among the objects to be classified. For example,
it is rather obvious that test species cannot be a useful parameter for
classification of the effects of chemicals if each of the chemicals was
tested on a different species.
Pattern-recognition methods can be extremely valuable if the size
and complexity of a data base exceed human ability to efficiently dis-
cern relationships or to devise logical classifications. The success of
such methods, however, depends on the application of chemical insights
in manually selecting a sufficiently large and representative set of
structural fragments to be used as classification parameters. In the
case of a relatively small data base, this process can lead directly to
a manual classification, with obviously little to be gained from the
application of formal pattern-recognition methods. In our judgment,
neither the size nor the chemical complexity of the useful portions of
the present data base warranted the application of such formal methods.
Computer-assisted manual classification, as an alternative to
formal pattern recognition, consisted of assigning chemical class codes
to each compound and clustering these into conventional functional group
classes with discrete potency ranges, using multiparameter sorting tech-
niques, graphic analysis, and multiple regression analysis. Refinement,
based on potency data, resolved classification ambiguities resulting
from the presence of multiple functional groups in a single compound,
and resulted in the merging of initial clusters based on similarities in
both structure and potency.
15
-------
Where results from any one study were available for more than one
test end point, the lowest toxic concentration data were used as
measures of potency; i.e., the most sensitive test end points for each
compound were used. Where multiple potency values were available for a
single compound (multiple citations in the data base), these could have
been averaged to provide a single potency value for every compound in
the data base. Such averaging was deliberately avoided in the interest
of maintaining a more conservative approach and allowing such experi-
mental variation to be expressed in all correlations.
The previously described methodology for chemical classification
provided a basis for determining to what extent additional physico-
chemical parameters might be useful in more detailed rationalization of
SAR. Preliminary analysis indicated that the data base was too struc-
turally diverse, relative to the total number of compounds on which data
were available, to allow rational formulation of consistent steric and
electronic parameters. The considerations that led to this conclusion,
as discussed in the previous section of this report, also suggested that
there was every reason to expect some relationship between the repro-
ductive toxicity of compounds in the organic data base and their hydro-
phobicities (lipophilicltles). To the extent that reproductive toxicity
was related to chemical classification, it would be expected that any
relationship of toxicity to hydrophobicity would likely also be chemical
class-specific to some extent. Furthermore, to the extent that hydro-
phobicity is related roughly to molecular weight, the latter parameter
might also be expected to be a determinant of activity.
The purpose of structure-activity analysis is to examine the
statistical validity of various relationships that can be formulated.
In this sense, statistical bias is unavoidably introduced in any such
analysis by the simple act of feature selection. The only alternative
is to examine the entire universe of conceivable features; however,
besides being impractical, this would require that the selection of data
(i.e., the selection of test compounds) also be unbiased and be at least
a fair sample of that universe (which would require considerably more
than 72 compounds). In practice, such analyses aim to test the validity
of implicit relationships implied in the selection of parameters on some
scientifically reasonable basis. Hydrophobicity (log P) is a scientifi-
cally reasonable parameter. Molecular connectivity, X, is also a
reasonable parameter and could have been used in place of log P since,
within chemical classes, these two parameters are highly correlated.
However, in comparison to log P, X is not an extensively characterized
parameter and its physical meaning is less clear, particularly with
respect to higher order values.
A preliminary analysis of the entire data base indicated that
hydrophobicity and molecular weight were very likely important factors
in some, if not all, of the chemical classes. As indices of relative
hydrophobicity, log P values (octanol/water partition coefficients) were
obtained as measured values when available; in the few cases where
multiple measured values were reported, these were averaged to obtain a
16
-------
single mean value. Where measured data were not available, log P was
computed via an SRI-designed computer program that is based on the
fragment values and additivity algorithms of Hansch and Leo9 A
comparison of values obtained from the literature (measured or derived
from measured values for a non-octanol system) with those computed by
fragment additivity is shown in Table 1. In a few cases (e.g., organo-
metallic compounds), it was not possible to compute log P values because
of the lack of appropriate fragment constants.
Due to the lack of log P data, 10 compounds (16 citations) were
omitted in the evaluation of the contribution of hydrophobicity to the
structure-activity analysis of the organic data base. These were
methylmercury, phenylmercuric acetate, thimerosal, chloramine, aflatoxln
Bl, RDX, trypan blue, sodium nitriloacetate, diazinon, and fenitro-
thion. Deletion of the first four of these is probably further justi-
fied on the basis that they differ rather distinctly from the remainder
of the data base; the first three are organometallics (mercury) and the
fourth (chloramine) liberates free chlorine . Similarly, methylmercuric
chloride, as the only remaining organometallic, was deleted (two
citations) before such analysis was attempted.
The organic data were then analyzed by both graphic and linear
multiple regression methods for correlations between log P and molecular
weight and potency. For this purpose, potency data (minimal toxic con-
centrations, yg/L) were converted to molar concentrations and trans-
formed to "log (1/c)", the base 10 logarithm of the reciprocal of the
minimal toxic molar concentration. The results of this initial analysis
were evaluated relative to the degree of statistical correlation and the
nature of residuals (compounds whose activities were poorly predicted by
the derived relationship).
Standard methodology seeks to improve a correlation either by
introducing additional parameters or by eliminating those residuals for
which there is some identifiable basis for their deviation from the
predicted behavior—thus "explaining" the behavior of the data set. In
the present case there was a clear basis for the elimination of several
residuals on the assumption that not all chemical classes would be
expected to exhibit the same (or any) relationship between activity and
hydrophobicity. Thus the elimination of discrete classes of compounds
results in a more restricted, but otherwise quite appropriate, corre-
lation. The correlation answers the question: "What chemical classes
represented in the data base exhibit similar relationships between
activity and Log P or molecular weight?" To a limited extent, it was
also possible to apply the alternative approach of accounting for
deviations in expected behavior by the introduction of additional
parameters on a theoretical or semiempirical basis.
17
-------
Table 1. Comparison of Measured (Literature) and Computed Log P Values
0
ROWNAME
1
LIT LOGP
2
COUP LOGP
1. 1.-1,2/ 2-TETRACHL0R0ETHANE
2.56
3.05
£. 1,2,4-TRICHLOROBENZENE
4.26
4.2?
3 1•?-nICHL0R0BEN7FNF
3.38
3.56
4. 1,2-DICHL0R0ETHANE
1 .48
1.48
5. 1/2-0ICHL0R0PR0PANE
2.28
2.02
6. 1,3-DICHLOROeENZENE
3.38
3.56
?. 1,4-0ICHLOROBENZENE
3.39
3.56
8. 2,4,6-TRICHL0R0PHEN0L
3.38
3.61
9. 2,4-0IMETHYLPHENOL
2.5
2.8
10. 2,4-OINITROPHENOL
1.53
2.
11. 2-CHL0R0PHEN0L
2.1?
2 18
12. 4-BR0M0PHENYL PHENYL ETHER
4.28
5.08
13. BIS<2-CHL0R0ETHYL AETHER
1.58
1.46
14. BUTYL BENZYL PHTHALATE
5.3
5.55
15. CARBON TETRACHLORIDE
2.64
2.96
16. ETHYLBENZENE
3.15
3.34
17. HEXACHLOROBENZEHE
6.18
6.42
IS. LINDANE
3.72
3.19
V?. HEPTACHLOR
5.05
4.41
18
-------
An additional factor considered in the analysis was data reported
as "no effect" at the maximum concentration tested. Such information is
not a true indication of potency; it merely sets an upper limit that
will not be exceeded by the true potency of the compound. Much of the
data of this type was from ERL-Duluth studies of compounds on which no
other data were available. To allow retention of these compounds in the
data base, it was decided to treat such information as though it repre-
sented actual potencies. However, this compromise must be considered in
interpretations of the results of the analysis, and future refinement of
the data on these compounds and validation of the analysis will be
required. The significance of this problem is discussed further in the
"Results of Analysis" section.
Computer storage and analysis of data were conducted using the NIH
PROPHET system, which has excellent facilities for the handling of
organic molecular information and associated biological and physico-
chemical data. This includes standard procedures for stepwise multiple
regression analysis, pattern recognition, and linear regression.
Graphic representations of relationships, curve-fitting, and multiple
linear regression were conducted using standard PROPHET system software.
19
-------
DATA BASE DEVELOPMENT AND CHARACTERIZATION
An initial computer sort of the data base (Appendix A) using the
chemical class key resulted in the breakdown of organic compound
citations by class code (as herein defined) shown in Table 2.
Table 2
DISTRIBUTION OF ORGANIC COMPOUND
CITATIONS BY CLASS CODE
Class Number of Number of
Code Definition Citations Chemicals
ARX
Halogenated aromatics
8
7
ARN02
Nitro aromatics
5
5
ARALP
Alkyl and polycyclic aromatics
2
2
XAL
Halogenated alkyl aliphatics and
alicyclics
14
12
XALAR
Halogenated arylalkyl aliphatics and
alicyclics
6
2
XBI
Halogenated bicyclic aliphatics and
alicyclics
18
6
CON
Carbamates
3
2
OHAR
Phenols
9
8
POS
(Thio) phosphates
11
6
COAR
Phthalates, aromatic lactones
2
2
UCON
Ureides
2
2
NAR
Aromatic and heterocyclic amines
6
4
MC
Organometallics
5
4
MIS
Miscellaneous
15
10
Total
106
72
Initially, the class code (ARX, XBI, etc.) was used simply as an
internal device for convenient computer sorting; classification was
subject to change with further development and analysis of the data
base. Of the 72 organic compounds, 54 had only one citation each and 18
were represented by 2 to 7 sets of data for each, as follows:
Atrazine (3)
Chloramine (2)
Chlordane (5)
DDT (3)
Diazinon (4)
RDX (3)
Endrin (7)
Heptachlor (2)
Hexachloroethane (2)
Kepone (2)
Lindane (2)
Sevin (2)
21
Malathion (3)
Methoxychlor (3)
Methylmercuric Chloride (2)
Nitroglycerin (3)
Pentachlorophenol (2)
1,2,4-Trichlorobenzene (2)
-------
Specific test results were selected according to the frequency of
occurrence of effect categories in reports. In the current data base,
these test results are reported as compound concentrations and organized
according to the category codes shown in Table 3. The frequencies of
occurrence of each effect category in the organic and inorganic data
bases are shown in the table.
Table 3
OCCURRENCE OF TEST RESULT
CATEGORIES IN ORGANIC AND
INORGANIC DATA BASES
Occurrence of Citations
in Data Bases
Category
Code
Definition
Organic
Inorganic
E/F
Eggs per female
28
15
LS
Larval survival
61
65
ES
Egg survival
19
17
H
Hatch percentage
57
36
S/F
Spawns per female
12
9
E/S
Eggs per spawn
12
3
TM
Morphological teratogenesis
7
6
The actual data for each of these categories correspond to the
lowest concentrations producing a statistically significant or seemingly
clear-cut effect or to the highest concentrations tested if no effect
was observed.
It was apparent from the above tabulations that larval (fry)
survival (LS), egg hatch (H), and eggs per female (E/F) were the most
frequently reported test end points. The extent to which the other four
result categories can be useful in structure-activity analysis depends,
in part, on the distribution of test compounds among these less frequent
categories. In the case of the morphological teratogenesis (TM)
category, for example, the results were derived from five different
classes of compounds and from tests employing three different species.
One of the tests was of the flow-through type and the rest were static.
Five tests were acute tests for toxicity to eggs and two were chronic
tests with adults. Such a large number of variables for only seven
compounds made it extremely doubtful that the TM data would be meaning-
ful if considered separately in the context of structure-activity
analysis.
22
-------
Table 4 shows the most sensitive data base parameters for detecting
effects in embryo-larval and chronic studies. As indicated, larval
survival is the most frequent indicator of chemical effects in embryo-
larval studies. On the other hand, reproductively related parameters
(E/F, E/S, S/F) are the most frequent indicators of effects in the
chronic studies that were evaluated. Since most of the chronic studies
were not started with eggs and therefore did not include the sensitive
post-hatch period, it might be expected that Fo larval survival would
not be a sensitive indicator of effects in those studies. However,
Fi parameters such as larval survival, and egg survival and hatchability
also were not as sensitive as the reproductive parameters associated
with the parental fish in indicating chemical effects on reproduction.
Therefore, it appears that chronic studies are the most sensitive tests
for estimating effects of chemicals on fish reproduction because they
cover not only the reproductive period but also the period covered by
embryo-larval tests.
Table 4
THE MOST SENSITIVE RESPONSE PARAMETERS AS DETERMINED
BY EMBRYO-LARVAL AND CHRONIC FISH STUDIES
Chemical
Category
Organics
Test
Type
Embryo-larval
Chronic
No. of Tests
Producing
Effects
30
25
Number of Occurrences as the
Most Sensitive Response Parameter
E/S
2
hL
LS Reprod*
30
8
22
H
1L.
E/S LS
Organic
mixtures Embryo-larval
Chronic
Inorganics
Embryo-larval
Chronic
9
8
63
22
1 1
11
1
8
5
54
1
15
*E/F, E/S, S/F
To compare potency, all data on maximum-sensitivity exposure were
converted to common concentration units (pg/L). The range of such
concentrations tabulated in the organic data base spans 10 orders of
magnitude (0.01 Jig/L to 107 ug/L). These are concentrations producing
one or more toxic effects or they are "nontoxic" concentrations. A
preliminary sort on this parameter (without regard to species, test
method, etc.) generated a ranking of compounds in decreasing order of
potency. Eleven of the top 20 organic data sets involved halogenated
bicyclic compounds. In the inorganic data base, the range of toxic
23
-------
concentrations spans eight orders of magnitude (1.0 Vig/L to 1.5 x 107
lig/L). The organic data base consists of 106 citations involving 22
different species of fish of three broad types, with 2 to 47 citations
per species (Table 5).
Table 5
BREAKDOWN OF ORGANIC COMPOUND CITATIONS BY
TYPE AND SPECIES*
Type Species Citations
Warm fresh water Bluegill 2
Carp 7
Fathead minnow 46
Flagfish 2
Largemouth bass 3
Medaka 5
Zebrafish k
Cold fresh water Brook trout 5
Lake trout 2
Rainbow trout 2
Salt water Mullet 2
Sheepshead minnow 14
Spotted seatrout 2
Winter flounder 2
*Eight additional species were found in single citations only
(mummichog, catfish, coho salmon, cutthroat trout, channel catfish,
killifish, marine fish, and snakehead fish).
The inorganic data base consists of 99 citations involving 28
chemicals and 28 different species, with 1 to 22 citations per chemical
and 1 to 14 citations per species (Table 6).
24
-------
Table 6
BREAKDOWN OF INORGANIC COMPOUND
DATA BASE BY CHEMICAL AND SPECIES*
Chemical Citations Species Citations
Cadmium chloride
18
Bluegill
7
Sodium hypochlorite
2
Brook trout
13
Calcium hypochlorite
3
Brown trout
3
Copper sulfate
22
Carp
4
Hydrogen cyanide
5
Channel catfish
6
Hydrogen sulfide
2
Coho salmon
2
Iron hydroxide
2
Fathead minnow
14
Lead nitrate
9
Flagfish
2
Mercury dichloride
2
Lake trout
4
Plutonium
2
Northern pike
4
Selenium dioxide
2
Rainbow trout
7
Sodium chloride
2
Smallmouth bass
2
Sodium dichromate
7
Sockeye salmon
2
Zinc chloride
2
Striped bass
2
Zinc sulfate
6
Walleye
6
White sucker
5
Zebra fish
4
*Thirteen chemicals and 11 species were found in single citations only.
With respect to both the organic and inorganic data bases, most
test methods were dynamic (flow-through), but a significant number were
static. The classification of test types, including life stage of
initiation, follows:
(1) Early life stage: continuous exposure starting with eggs;
measurement of effects on Fq generation.
(2) Chronic-eggs: continuous exposure starting with eggs;
measurement of effects on generation.
(3) Chronic-fry: similar to #2, but started with larvae.
(4) Chronic-adult: similar to #2, but started with adults or
juveniles.
(5) Adult-chronic: similar to #2, but started with adults and
exposure not continuous (no subsequent exposure of eggs).
(6) Acute-egg toxicity: simple egg bioassay (survival and/or
hatchability of exposed eggs).
25
-------
Assay methodology parameters for each of the compounds in the
organic data base are summarized in Table 7. Species abbreviations
(used in Table 7) corresponding to common names and scientific names are
tabulated in Table 7a. Test end point (effect category) abbreviations
in Table 7 are those shown in Table 3. Test type abbreviations are as
follows:
EL
Early life stage
CE
Chronic-eggs
CF
Chronic-fry
CA
Chronic-adult
AC
Adult-chronic
AE
Acute-egg toxicity
An asterisk in column 4 of Table 7 indicates that no effect was observed
at the highest concentration tested.
26
-------
Table 7. Assay Methology Parameters
ItEST TYPE
2
SPECIES
3
TEST END POINT
4
NO
EFF
_L_J »l/2,2-TETRftCHLOROETHANE BEL
FM
LS
_2. 1,1, 2-TRICHL0R0ETHANE |EJ_
FM
LS
.3. l'l-01CHLOR0ETHYL£NE |eL
FM
LS/H.G
*
-5 1'2,3,4-TETRACHL0R0BENZENE IEL
FM
LS
_5 l > 2,4-TRICH_0RGBENZENE IEL.
FM
LS
_«> i'2-oicHcoRoeeNZENE Bel
FM
LS
_Z_ 1/2-01CHLOROETHANE HEL
FM
_8 1,2-01 CHL.OROPROPANE |eL
FM
LS
' -J-01 CHLOROBEHZENE ||el
FM
LS
l*- I'J-OICHLOROPROPEtC J EL
FM
LS
H l'4-OICHL0R06EN2ENE ||EL
FM
LS
i£^_2j3-DINITROTOLUEHE |EL
FM
LS
£J_^,4,5-TRICHLOROPHEHOXYACETr- JfC
M
H/TM
il_J^4,6-TRICHLOROPHENOL BEL
FM
LS
6-trinitrotoluene
EL
FM
LS/H
±2_je14-01 ft THYUPHENOL
EL
FM
LS/H
iZ *'4-0INITR0PHEN0L
EL
FM
L6/H/C
*
18 2/4-0INITR0T0LUENE
EL
FM
LS, ,H
^ ^-rtCETYLAMINOFUJORENE
AE
2
ES/H
2®__f~CHLOROPHENOL
EL
FM
LS/H.G
*
^__i-TRIFUJ0R0METHYL-4-NI TROPM-
AE
RT
LS.E8
r^_5"i*- HTRAZ1HF
CA.LC
BT,BG,FW
H/E/F < S^F/E/S
*
^_H^INPHOS-+ETHYL< GUTHION )
C
FM
LS/EF/H/E/S
» 2-CHL0R0ETHYL JETHER
EL
FM
LS/H/C
*
BUrrL 8ENZYL PHTHftLftTE
EL
FM
LS/H.C
*
£LJ;!*»ofur*w
CW
8M
LS
^ <-HKBON TETRflT.ni nRiOE
EL
FM
LS
j1 ^K-ORAHfMF
EL
CS/SS
LS/ES
^ t>tORO»W
CA,CE,CF,EL
BT,SG,9ri,FM
L8/ES/E^F/H/S^F/E^S
ji. LVGON
fie
Z
ES
il__i^TETRftHYDROCflMN(WIHOL
AE
z
LS/E8
5_P0T
AC, CA
CT,»T,FM
LS,E8,H,TM
:*• 0IA2IN0N
AE,CA,CP
C,BT,SM,FM
L8,E-^.H/8^F/E^»TM
DlELORIN
AC
UF
E8
UINOSEB
EL
LT
LS
27
-------
Table 7 (Concluded)
0
ROUNAME
1
TE8T TYPE
2
8PECIES
3
TEST END POINT
4
NO
EFF
39. ENDRIN
AE/CE/CF.EL
C> SF,SM/F,FM
LS.ES.E^.H
*
40 ETHYLBENZENE
EL
FM
LS'H'G
*
41 FEHITROTHIOH
AE
C
H
42. FORMALDEHYOECFORMALIN>
AE
LB
H
43. HEPTACHLOR
CA,EL
SM
LS/E^F/H
44. HEXACHLOROBEKZENE
EL
FM
LS.G
t
45. HEXACHLOROETHANE
EL
FM
LS
46. KETONE
AC, AC
SM
ES
47. LINDANE
CA
BT>FH
H
48 MALACHITE GREEN
AE
LB
LS,H
49. NALATHION
AE.CA.CF
C.8H.F
LS.H
M. METHOXYCHLOR
AE/CA
8M/FH
E^F.H
51. METHYLMERCURIC CHLORIDE
AE/CA
K/BT
E^/H/8^F,TM
52 HETHYLMERCURY
AE
M
ES/TM
53 MI REX
AE
MU
E8
54. NAPHTHALENE
EL
FM
L8/H-G
*
55. NIFURPIRINOL
AE
MM
ES,TM
56. NITR1LOACETATE, SODIUM
CF
FM
LS>H
AC
LB
H
69. TOLBUTAMIOEC NA >
AE
M
TM
70 TRIFLURALIN
CE
8M
LS,E/F,H
71 TRYPAN BLUE
AE
M
ES
72. CAPTAN
CF
FM
ls.e^.h.e^s
EL = Early Life Stage; CE = Chronic-eggs; CF = Chronic.-fry; CA = Chronic-
adult; AC = Adult-chronic; AE = Acute egg toxicity. Species: Sec Table 7a;
Test End Point: See Table 3; NO EFF = No effects observed at highest
concentration tested.
28
-------
Table 7a. Species Names
e
ROWNAME
1
ABBR
2
SCIENTIFIC NAME
1. ATLANTIC SALMON
SALMO SALAR
2. ATLANTIC GILUCRTICM
MENIDIA r^NlDIA
3 BLUEBACK HERRING |j
ALOSA AESTIUALIS
4. BLUEGILL
BG
LEPOMIS MACROCHIRUS
5. BROOK TROUT |
BT
SALUELINUS FONTINALIS
6. BROWN TROUT R
SALMO TRUTTA
7. BUFFALO FISH/ SLACK |
ICTIOLUS NIGER
8. BUFFALO FISH/ BIGMOUTH
ICTIOLUS CYPRINELLUS
9. CARP
C
CYPRINUS CARP10
10. CHANNEL CATFISH
CF
ICTALURUS PUNCTATUS
11. COHO SALMONSILUER SALMON)
CS
ONCORHYNCHUS HISUTCH
12. CUTTHROAT TROUT
CT
SALMO CLARKII
13. FATHEAD MINNOW
FM
PIMEPHALES PROMELAS
14. FLAGFISH
F
JOROANELLA FLORIDAE
15. GUPPY
LEBISTES RETICULPTUS
16. KILLIFISH/ LONGNOSE
K
FUH0UUJ3 SIMILIS
17 LAKE HERRING
COREGONUS ARTED1
18. LAKE TROUT
LT
SALUELINUS NAMAYCUSH
19 LARGEMOUTH BASS
LB
MICROPTERUS SALMOIDES
20. MARINE FISH
MF
CRENILAHUS PAUO
21. MEDAKA
M
0RY2IAS LATIPES
22 MULLET
MU
MUGIL CEPHALUS
23. MUmiCHOGCKILLlFlSH)
MM
FUNOULUS HETEfiOCLlTUS
24. NORTHERN PIKE
ESOX LUCI'JS
25. RAINBOW TROUT
RT
SALMO GAIRONERII
26. RICE FISH
ORYZIAS LATIPES
27 SHEEPSHEAO M1NN0U
SM
CYPRINOOONXVARIEGATUX
28 SHINER PERCH
CYMATOGASTEX AGGREGATA
29 SMALLMOUTH BASS
MICROPTERUS OOLOMICUI
38. SNAKEHEAD FISH
SF
CHANNA ARGUS
31. SOCKEYE SALMON
ONCORHYNCHUS NERKA
32. SPOTTED SEATROUT
SS
CYNOSCION NEBULOSUS
33. STRIPED BASS
MORONE SAXATILUS
34. WALLEYE
STIZOSTEOION UITREUM
33 WHITE PERCH
MORONE AMERICANA
36 WHITE SUCKER
CATOSTOMUS COMMERSONI
37. WINTER FLOUNDER
WF
PSEUOOPLEURONECTES AMERICANUS
38 ZEBRAFISH
Z
BRACHYDANIO RERIO
Common name abbreviations (Col. 1) are used (Table 7) only for those species
found in the organic data base.
29
-------
PRELIMINARY ANALYSIS
From the viewpoint of structure-activity analysis, the data on
organic and inorganic compounds comprise two independent data sets
because of the fundamental differences between these two classes in
structure and related chemical and physical properties. The analytical
objective, of course, was to identify relationships between reproductive
effects (the dependent variable) and chemical classes or characteristics
(the independent variables). It was apparent from initial inspection,
however, that because of the variation In experimental methods used in
testing the chemicals, there were a large number of additional indepen-
dent variables (or classification parameters) that were not related to
chemical characteristics. To the extent that these additional variables
presumably may have affected the biological results, they must be
included in any proper analysis. Unfortunately, upon further inspec-
tion, it became apparent that many of them did not meet the criteria for
inclusion in multivariate analysis because they were inadequately
represented in the overall data base.
Difficulties in multivariate analysis using the organic data base
variables are illustrated, in part, in Table 7. The problem posed
immediately in terms of statistical methodology is that, even before the
formulation of structural fragment parameters, there were a total of
approximately 40 methodological and biological features for the classi-
fication of 72 objects (chemicals). The addition of structural para-
meters could easily result in a statistically inappropriate pattern-to-
feature ratio of less than 1:1 (see Method of Analysis). However, many
of these features were associated with no more than a small fraction of
the chemicals studied; hence examination of their influence was not
statistically feasible for the additional reason that each was inade-
quately represented among common objects for classification. Similarly,
the added influence of water quality parameters was not considered
because relatively few studies provided such data and those that did
were inconsistent in the type of data provided.
Since a rigorous statistical analysis of all data In the organic
data base was not feasible, a preliminary attempt was made to manually
assess the extent of influence of various methodological and biological
variables, and thus obtain some insight into what data may reasonably be
considered comparable for structure-activity analysis. The results of
such an assessment are based on Tables 8-10.
31
-------
Table 8. Variation of Minimal Toxic Concentration (pg/L) with Test Type
and Species
0
ROWNAME
|1
[test type
Z
SPECIES
3
UG/L
4
TEST
1. CHLORDANE
CHRONIC-ADULT
BLUEGILL
32
E-'F
2. CHLORDANE
CHRONIC-ADULT
BROOK TROUT
2.21
E/F
7. nTA7INnN
r.HRONIC-ADULT
SHEEPSHEAD MIN-
€3
E-'F
4 DIAZINOH
CHRONIC-AOULT
BKOOK TROUT
9.6
E sF
5. ENDRIN
CHRONIC-FRY
FATHEAD MINNOW
14
LS
6. ENDRIN
CHRONIC-FRY
FLAGFISH
.3
LS
7. HEPTACHLOR
EARLY LIFE STA-
SHEEPSHEAD MIN-
2 24
LS
8. HEPTACHLOR
CHRGNIC-ADULT
SHEEPSHEAO MIN-
1.9
LS
?. KEPONE
ACUTE EGG TOX
SHEEPSHEAD MIN-
.72
ES
10. KEPONE
AOULT CHRONIC
SHEEPSHEAO MIN-
19
ES
11. LINDANE
CHRONIC-ADULT
BROOK TROUT
16.6
E/F
12 LINOANE
CHRONIC-ADULT
FATHEAD MINNOW
23.4
E/-F
13. NITROGLYCERINE
CHRONIC-FRY
FATHEAO MINNOW
lie.
LS;H
14 NITROGLYCERINE
EARLY LIFE STA-
FATHEAO MINNOW
120.
LS>H
15. RDX; CYCLOTRIME-
CHRONIC-FRY
FATHEAD MINNOW
4980.
LS;H
16. RDX; CYCLOTRIME-
EARLY LIFE STA-
FATHEAO MINNOW
5800
LSiH
17. CHLORDANE
CHRONIC-EGGS
SHEEPSHEAO MIN-
8
E/F
18. CHLORDANE
EARLY LIFE STA-
SHEEPSHEAO MIN-
17.
LS
19. ENDRIN
CHRONIC—EGGS
SHEEPSHEAO MIN-
.31
E-'F; LS
20. ENDRIN
EARLY LIFE STA-
SHEEPSHEAD MIN-
.46
LS
32
-------
The first of these tables (Table 8) illustrates 10 cases involving
identical or similar effect categories (Column 4) for which either the
test type (Column 1) or the species (Column 2) varied while all other
factors were constant [the dynamic (flow) method was used in all of
these cases]. The paired potency data (Column 3) were relatively
similar for most sets of compounds.
Table 9 examines the potency ranking and toxic concentrations of
compounds for five species. With the exception of some carp data, toxic
concentrations of chlordane, lindane, endrin, diazinon and atrazine were
similar among species. Apparent exceptions were diazinon and chlordane
in the sheepshead minnow. Similarly, the sheepshead minnow and the
fathead minnow show a difference of two orders of magnitude in sensi-
tivity to methoxychlor. In contrast to the other species, the sheeps-
head minnow is a saltwater fish. Also, the carp is known to be an
unusually hearty species. It is surprising, therefore, that the
sensitivity of carp to diazinon was similar to that of the brook trout
and fathead minnow, and that the sensitivity of carp to sevin was
similar to that of the fathead minnow. Potency ranking for the five
species shows similarities and differences that are difficult to assess,
considering the small number of comparable cases. Some differences may
be attributable to variations in effect categories; for example, carp
data were based on acute egg toxicity tests (egg survival, hatch
percentage), whereas data on fathead minnow and sheepshead minnow were
derived from early life stage and chronic tests (mostly eggs per female,
larval survival). Overall, however, it appears that data derived from
different effect categories were roughly comparable.
In Table 10, the data are sorted by chemical class and by molar
potency within each class. The most potent compounds were in the
halogenated bicyclic (XBI), organophosphate (POS), and halogenated alkyl
aromatic (XALAR) classes. However, the range of potencies in each of
these three classes was approximately six orders of magnitude, compared
to 10 orders of magnitude for the entire organic data base. Further-
more, the potencies of compounds in most other classes fell within the
ranges of these three.
The classification scheme of Table 10 effectively characterized
groups of chemicals in terms of common structural denominators. The
fact that such groups were not clearly distinguishable in terms of
potency suggested that the latter was determined less by specific
details of molecular structure and geometry than by more general
physical properties such as molecular weight or hydrophobicity. Several
classes illustrate this problem with respect to multiple halogenation.
Chlorine substituents confer a great deal of hydrophobicity and poly-
chlorination is evident in the highly toxic halogenated bicyclic and
halogenated alkyl aromatics. Similarly, potency among the halogenated
aromatic compounds (ARX; Table 10) rises roughly in parallel with
increasing chlorine substitution (and increasing hydrophobicity) as
follows:
33
-------
CI ('1 CI CI
Table 9. Minimal Toxic Concentration (ug/L) Rankings for Different
Species
n
ROWNAME
1
TEST TYPE
2
SPECIES
3
UG'L
4
METHOD
1 . chlordane
CHRONIC-ADULT
BLUEGILL
I 22
FLOW
2 ATRAZINE
CHRONIC-AOULT
BLUEGILL
95
FLOW
3 r.Ht .nPDANF
CHPONT C—ADULT
BROOK TROUT
32
FLOW
4. OIAZINON
CHRONIC-ADULT
BROOK TROUT
9.6
FLOW
5 LINDANE
CHRONIC-ADULT
BROOK TROUT
16 6
FLOW
6. ATRAZINE
CHRONIC-ADULT
BROOK TROUT
720.
FLOW
7. OIAZINON
ACUTE EGG TOX
CARP
10.
STATIC
8. MALATHION
ACUTE EGG TOX
CARP
230.
STATIC
9. SEUIN
-------
Table 10. Organic Chemicals Sorted By Minimal Toxic Concentrations
Within Chemical Classes
3
ROUNAME
1
CLASS
2
NM/L
3
METHOO
4
SPECIES
1. NAPHTHALENE
ARALP
3432.894
FLOW
FATHEAD MINNOW
2 ETHYLBENZENE
ARALP
4144.449
FLOW
FATHEAD MINNOW
7 J>, 4, S-TRINITROTOUIFNE
ARN02
1100.654
FLOW
FATHEAD M1NNOU
4. 2,3-DINITROTOLUENE
ARN02
1482.391
FLOW
FATHEAD MINNOW
5 NIFURPIRINOL(FURANACE)
ARN02
4061.349
STATIC
MUMMICHOG
6. 2,4-OINITROTOLUENE
ARN02
15373.02
FLOW
FATHEAD MINNOU
7. NITROBENZENE
ARN02
259928 7
FLOW
FATHEAD MINNOU
6. HEXACHLOROBENZENE
ARX
16 71311
FLOU
FATHEAO MINNOW
9. 4-BPOMOPHENYL PHENYL ETHER
ARX
357.2621
FLOW
FATHEAD MIttWU
10. 1,2,4-TRICHLOROBENZENE
ARX
495.9689
FLOW
FATHEAD MINNOU
11. 1,2,3,4-TETRACHLOROBENZENE
ARX
1908.233
FLOW
FATHEAO MINNOW
12. 1,2-DICHL0R0BENZENE
ARX
3537.188
FLOW
FATHEAD MINNOW
13. 1 ..2>4-TRICHLOROB£NZENE
ARX
5516.439
FLOW
FATHEAO MINNOW
14. 1/4-OICHLOR08EH2ENE
ARX
7074.387
FLOW
FATHEAD MINNOW
15 1 • 3-0ICHL0R0BENZENE
ARX
15420 83
FLOU
FATHEAO MINNOW
16. AFLATOXIN B1
COAR
160.1129
STATIC
MEDAKA
17 BUTYL BENZYL PHTHALATE
COAR
1152.501
FLOW
FATHEAO MINNOW
18. CARBOFURAN
CON
103.9511
FLOW
SHEEPSHEAD MIN-
19 S£UIN< CARBARYL >
CON
3384.28
FLOW
FATHEAO MINNOW
20. SEUIN< CARBARYL >
CON
3727.182
STATIC
CARP
21. METHYLMERCURIC CHLORIDE
MC
11.70938
FLOW
BROOK TROUT
22. METHYLMERCURIC CHLORIDE
MC
119.4641
STATIC
KILLIFISH
23 PHENYl MERCURIC ACFTATE
MC
148.4832
STATIC
ZEBRAFISH
24. METHYLMERCURY
MC
173.4173
STATIC
MEDAKA
25 THIMEROSALt MERTHIOLATE >
MC
2.47033X10**
STATIC
LARGEHOUTH BASS
26. CAPTAN
MIS
10.97781
FLOU
FATHEAD MINNOU
27. PICLORAM
MIS
144.9429
FLOW
LAKE TROUT
28. CHLORAMINE
MIS
206.4415
FLOU
COHO SALMON
29. NITROGLYCERINE
MIS
484 381
FLOU
FATHEAO MINNOU
38. NITROGLYCERIN
MIS
528.4157
FLOU
FATHEAD MINNOW
31. CHLORAMINE
MIS
626.1664
STATIC
SPOTTED 3EATRO-
32. NITROGLYCERINE
MIS
660.5199
FLOU
CHANNEL CATFISH
33. RDXj CYCLOTRI METHYLENE TRIN-
MIS
5462.366
FLOU
CATFISH
34. ROX; CYCLOTRIMETHYLENE TRIN-
MIS
22059 73
FLOU
FATHEAO MINNOU
35. RDXj CYCLOTRIMETHYLENE TR1N-
MI8
26111.92
FLOU
FATHEAO MINNOU
36. 2,4,5-TRICHLOROPHENOXYACETI-
MIS
78280.09
STATIC
MEDAKA
37. NITRILOACETATE, SODIUM
MIS
209656.1
FLOW
FATHEAO MINNOW
38. TOLSUTAMIOEC NA)
MIS
9.247317X106
STATIC
MEDAKA
39 TRYPAN BLUE
MIS
1.432042X10^
STATIC
MEDAKA
40. FORMALDEHYDE(FORMALIN >
MIS
4.995695X1a7
STATIC
LARGEMOUTH BASS
35
-------
Table 10 (Continued)
0
ROUNAME
1
CLASS
2
NM^L
3
METHOO
4
SPECIES
41 TRIFLURALIN
NAR
3.877194
FLOW
SHEEPSHEAO MIN-
42. ATRAZINE
NAR
440.4384
FLOW
BLUEGILL
43 ATRAZTNF
NAR
987.511
FLOW
FATHEAO MINNOW
44. ATRAZINE
NAR
3338 074
FLOW
BROOK TROUT
45. MALACHITE GREEN
NAR
5187.127
STATIC
LARGEMOUTH BASS
46. 2-ACETYLAMINOFLUORENE
NAR
89577.02
STATIC
ZEBRA FISH
47. OINOSEB
OHAR
41 62849
FLOW
LAKE TROUT
48. PENTACHLOROPHENOL
OHAR
73.06733
FLOW
RAINBOW TROUT
49. PENTACHLOROPHENOL
OHAR
732 105
FLOW
SHiEPSHEAO MIN-
50. 2,4-OINITROPHENOL
OHAR
2118.288
FLOW
FATHEAO MINNOW
51 3-TRIFLU0R0METHYL-4-N1TROPH-
OHAR
5793.935
STATIC
RAINBOW TROUT
52. 2,4,6-TRICHLOROPHENOL
OHAR
10633.22
FLOW
FATHEAD MINNOW
53. D9-TETRAHYOROCANNABINOL
OHAR
15900 05
STATIC
ZEBRA FISH
54. 2-CHLOROPHENOL
OHAR
31113 84
FLOW
FATHEAD MINNOW
55. 2,4-OIMETHYLPHENOL
OHAR
60573.76
FLOW
FATHEAO MINNOW
56. AZINPHOS-METHYL
POS
1.607111
FLOW
FATHEAD MINNOW
57. DIAZINON
POS
2.207486
FLOW
SHEEPSHEAO MIN-
58. DIAZINON
POS
24.17735
FLOW
FATHEAO MINNOW
59. MALATHION
POS
27.2432
FLOW
SHEEPSHEAO MIN-
60. DIAZINON
POS
33.63808
FLOW
BROOK TROUT
61. DIAZINON
POS
35.03967
STATIC
CARP
62. MALATHION
POS
95.35144
FLOW
FLAGFISH
63 MALATHTON
POS
756 7617
STATIC
CARP
64. FENITROTHION
POS
901.746
STATIC
CARP
65. PHOSPHAMIDON
POS
255004.
STATIC
CARP
66. CYGON
POS
1.129726X106
STATIC
ZEBRAFISH
67. 5-CHL0R0URACIL
UCON
6824.158
STATIC
SPOTTED SEATRO-
68. THALIDOMIDE
UCON
99998 99
STATIC
MARINE FISH
69. LINOANE
XAL
37.07341
FLOW
BROOK TROUT
70 LINOANE
XAL
80.45294
FLOW
FATHEAO MINNOW
71. 1,3-OICHLOROPROPENE
XAL
792.9542
FLOW
FATHEAO MINNOW
72. HEXACHLOROETHANE
XAL
2956.582
FLOW
FATHEAO MINNOW
73. HEXACHLOROETHANE
XAL
8743.054
FLOW
FATHEAO MINNOW
74. TETRACHLOROETHYLENE
XAL
16883.08
FLOW
FATHEAO MINNOW
75. PENTACHLOROETHANE
XAL
20265 86
FLOW
FATHEAO MINNOW
76. CARBON TETRACHLORIDE
XAL
22181.5
FLOW
FATHEAO MINNOW
77 1,1-OICHLOROETHYLENE
XAL
28880.9
FLOW
FATHEAD MINNOW
78. \>\ >Zi2-TETRACHL0R0ETHANE
XAL
81614.7
FLOW
FATHEAO MINNOW
79. BIS< 2-CHLOROETHYL 5CTHER
XAL
132850.1
FLOW
FATHEAD MINNOW
80. 1,2-OICHLOROETHANE
XAL
293032
FLOW
FATHEAO MINNOW
-------
Table 10 (Concluded)
0
ROWNAME
1
CLASS
2
NM/L
3
METHOO
4
SPECIES
81 1,2-DICHLOROPROPANE
XAL
354007.7
FLOW
FATHEAD MINNOW
82. 1•1.2-TRICHL0R06THANE
XAL
362032.8
FLOW
FATHEAD MINNOW
83 rcTHnxvcw OR
XALAR
.02892936
STATIC
MULLET
84. METHOXYCHLOR
XALAR
3616189
FLOW
FATHEAD MINNOW
85. DOT
XALAR
4.315818
FLOW
FATHEAD MI WOW
86. DOT
XALAR
5.641595
FLOW
WINTER FLOUNDER
87. METHOXYCHLOR
XALAR
66.33863
FLOW
SHEEPSHEAO MIN-
88. DDT
XALAR
8462.525
FLOW
CUTTHRQAT TROUT
89. MIREX
XBI
.01832849
STATIC
MULLET
90. ENDRIN
XBI
.3655784
STATIC
FATHEAD MINNOW
SI CHLORDANE
XB1
.7808417
FLOW
BROOK TROUT
92. ENDRIN
XBI
.7833835
FLOW
FLAGFISH
93. ENDRIN
XBI
.8094964
FLOW
SHEEPSHEAO MIH-
94. ENDRIN
XBI
1201189
FLOW
SHEEPSHEAO M1N-
95. KEPONE
XBI
1.319663
FLOW
SHEEPSHEAO MIN-
96 CHLORDANE
XBI
1.952108
FLOW
SHEEPSHEAD MIN-
97. CHLORDANE
XBI
2.976967
FLOW
BLUEGILL
98. KEPONE
X8I
3.482452
FLOW
SHEEPSHEAO MIN-
99. HEPTACHLOR
XBI
5.08909
FLOW
SHEEPSHEAD MIN-
100. DIELORIN
XBI
5.230217
FLOW
WINTER FLOUNDER
101 HEPTACHLOR
XBI
3.999772
FLOW
SHEEPSHEAO MIN-
102. CHLORDANE
XBI
6.783593
FLOW
FATHEAO MINNOW
103 CHLORDANE
XBI
41.46256
FLOW
SHEEPSHEAD MIN-
104. ENDRIN
XBI
51965.68
STATIC
CARP
105 ENDRIN
XBI
51965.68
STATIC
CARP
106 ENDRIN
XBI
250689.6
STATIC
SNAKEHEAO FISH
Column 2 (nanomoles/llter) « lowest effect concentration or highest no-effect
concentration tested.
37
-------
Table 11. Inorganic Chemicals: Minimal Toxic Concentr;iLions (Utf/L) ,
Species, Test Type, and Water Hardness
0
ROWNAME
il1
SPECIES
2
TEST TYPE
3
UC^L
4
NE
5
H/S
1 ALUMINUM CHLOR-
RAINBOW TROUT
ACUTE EGG tox
3200.
*
¦ >W
2 AMMONIPK NH4CL >
RAINBOW TROUT
EARLY LIFE STA-
190
H
3 AHT1MDNVC TP I f>X-
FATHEAD MINNOW
early LIFE STA-
7.2
*
4. CADMIUM CHLORI-
ATLANTIC S1LUE-
ACUTE EGG TOX
3200.
5. CADMIUM CHLORI-
BROOK TROUT
CHRONIC-AOULT
3 4
S
6. CADMIUM CHLORI-
BROOK TROUT
CHRONIC-EGGS
3.4
S
7. CADMIUM CHLORI-
BROOK TROUT
EARLY LIFE STA-
6 4
H
S
8. CADMIUM CHLORI-
BROOK TROUT
EARLY LIFE STA-
11.7
s
9. CADMIUM CHLORI-
BROOK TROUT
early life sta-
12
H-
H
10. CADMIUM CHLORI-
BROWN TROUT
early LIFE sta-
11.7
s
11. CADMIUM CHLORI-
CHANNEL CATFISH
EARLY LIFE STA-
39.
*
H
12. CADMIUM CHLORI-
CHANNEL CATFISH
early life sta-
17.
H
S
13. CADMIUM CHLORI-
COHO SALMON
early life sta-
12.5
S
14. CADMIUM CHLORI-
FLAGFISH
CHROHIC-EGGS
8.1
S
15. CADMIUM CHLORI-
LAKE TROUT
early LIFE STA-
12.3
S
16. CADMIUM CHLOftl-
MUMMICHOG
ACUTE EGG TOX
1000
17 CADMIUM CHLORI-
NORTHERN PIKE
early LIFE sta-
12.9
S
13. CADMIUM CHLORI-
SMALLMOUTH BASS
early life sta-
12 7
s
19. CADMIUM CHLORI-
WALLEYE
early life sta-
24.7
G-
s
28. CADMIUM CHLORI-BWALLEYE
early life sta-
86.7
*
H
21 CADMIUM CHLORI-
WHITE SUCKER
early life sta-
12.
S
22 CADMIUM SULFATE
BLUEG1LL
chronic-aoult
31 .
H
?3 CHLORINF
SHTNER perch
CHRONIC-AOULT
70.
24. CHLORINECCA HY-
BLUEBACK HERRI-
early life sta-
310.
25. CHLORINECCA HY-
STRIPEO BASS
early life sta-
150.
26. CHLORINECCA HY-
WHITE PERCH
early life sta-
160.
27. CHLOR. I NEC NA HY-
SPOTTED SEATRO-
early life sta-
10
28. CHLORINECNA HY-
STRIPED BASS
ACUTE EGG TOX
10.
H
29. COPPER
BROOK TROUT
CHRONIC-ADULT
9
H-
S
30 COPPER NITRATE
ZEBRA FISH
ACUTE EGG TOX
36.
31 COPPER SULFATE
BLUEGILL SUNFI-
CHRONIC-AOULT
162.
S
32 COPPER SULFATE
BROOK TROUT
EARLY LIFE STA-
49.
H
33. COPPER SULFATE
BROOK TROUT
EARLY LIFE sta-
43 5
S
34 COPPER SULFATE
BROOK TROUT
EARLY LIFE STA-
27.
S
35. COPPER SULFATE
BROWN TROUT
EARLY LIFE STA-
104.6
S
36. COPPER SULFATE
BROWN TROUT
EARLY LIFE STA-
43.2
s
37 COPPER SULFATE
CHANNEL CATFISH
EARLY LIFE STA-
19.
H
H
36. COPPER SULFATE
CHANNEL CATFISH
EARLY LIFE STA-
18
H
S
29. COPPER SULFATE
FATHEAD MINNOW
CHRONIC-ADULT
36.
H
H
40. COPPER SULFATE
fathead MINNOW
CHRONIC-AOULT
120.
H-
H
38
-------
Table 11 (Continued)
0
ROWNAME
1
SPECIES
2
TEST TYPE
3
UG/L
38.
4
HE
ES
5
H^S
H
41. COPPER SULFATE
FATHEAD MINNOW
CHRONIC-ADULT
42. COPPER SULFATE
FATHEAD MINNOW
CHRONIC-FRY
38.
H
H
43 COPPFR SUL FATF
FATHEAD MINNOW
CHRONIC-FRY
38
ES
H
44. COPPER SULFATE
FATHEAD MINNOW
CHRONIC-FRY
33
H
H
45. COPPER SULFATE
LAKE HERRING
EARLY LIFE STA-
102.8
S
46. COPPER SULFATE
LAKE TROUT
EARLY LIFE STA-
42.3
S
47. COPPER SULFATE
NORTHERN PIKE
EARLY LIFE STA-
104.4
S
48. COPPER SULFATE
RAINBOW TROUT
EARLY LIFE STA-
31.7
S
49 COPPER SULFATE
SMALLMOUTH BASS
EARLY LIFE STA-
103.8
E-
S
50. COPPER SULFATE
WALLEYE
EARLY LIFE STA-
71.
*
H
51 COPPER SULFATE
WALLEYE
EARLY LIFE STA-
47.
L-
S
52. COPPER SULFATE
WHITE SUCKER
EARLY LIFE STA-
33.8
S
53. FERROUS SULFATE
FATHEAO MINNOU
CHRONIC-AOULT
2000.
H
54. HYDROCYANIC AC-
ATLANTIC SALMON
CHRONIC-EGGS
10.
55. HYDROCYANIC AC-
BLUEGILL
CHRONIC-ADULT
3.2
56. HYDROCYANIC AC-
BLUEGILL
EARLY LIFE STA-
62.9
57. HYDROCYANIC AC-
BROOK TROUT
CHRONIC-AOULT
11.2
58 HYDROCYANIC AC- HFATHEAD MINNOW
CHRONIC-FRY
20.5
LS
59. HYDROGEN SULFI- RbLUEGILL
CHRONIC-AOULT
1.
H
60. HYDROGEN SULFI-||BLUEGILL
EARLY LIFE STA-
1.8
H
61 IRON HYDROXIDE |BROOK TROUT
EARLY LIFE STA-
12000.
*
H
62. IRON HYDROXIDE ttcOHO SALMON
EARLY LIFE STA-
6000.
H
63 LEAD NTTRATF ||wilFGILL
EARLY LIFE STA-
120.
H
S
64. LEAD NITRATE |BROOK TROUT
CHRON1C-EGGS
33.5
S
65 LEAD NITRATE
CHANNEL CATFISH
EARLY LIFE STA-
136.
H
S
66. LEAD NITRATE
LAKE TROUT
EARLY LIFE STA-
83.
S
67. LEAD NITRATE
NORTHERN PIKE
EARLY LIFE STA-
483.
H
S
68. LEAD NITRATE
RAINBOW TROUT
EARLY LIFE STA-
146.
S
69 LEAO NITRATE
WALLEYE
EARLY LIFE STA-
397.
H
s
70. LEAO NITRATE
WHITE SUCKER
EARLY LIFE STA-
253.
H
s
71. LEAD NITRATE
ZEBRA FISH
ACUTE EGG TOX
36.
72. MANGANOUS SULF-
RAIN80W TROUT
EARLY LIFE STA-
1000.
s
73. MERCURYC DICHLO-
CARP
ACUTE EGG TOX
3000.
74. MERCURY< DICHLO-
MEDAKA
ACUTE EGG TOX
15.
75. NICKEL< DICHLOR-
FATHEAD MINNOW
CHRONIC-ADULT
730.
H
76. NICKEL
CARP
ACUTE EGG TOX
3000.
H
77. PLUTONIUM
CARP
EARLY LIFE STA-
400.
78. PLUTONIUM I
FATHEAO MINNOW
EARLY LIFE STA-
400.
73. SELENIUM DIOXI- UZEBRAFISH
EARLY LIFE STA-
3000.
H
S
80. SELENIUM
-------
Table 11 (Concluded)
0
ROWNAME
1
SPECIES
2
TEST TYPE
3
UG/L
4
NE
5
H/S
81 SODIUM CHLORIDE
BUFFALO FISH
EARLY LIFE STA-
1 5X10'
H
S
82. SODIUM CHLORIDE
GOLDFISH
EARLY LIFE STA-
2 X106
S3 SQDT'IM PICHROM-
Rl IIFGILL
EARLY LIFE STA-
1122
*
S
84. SODIUM DICHROM-
CHANNEL CATFISH
EARLY LIFE STA-
305.
H
S
85. SODIUM DICHROM-
LAKE TROUT
EARLY LIFE STA-
6000.
S
86. SODIUM DICHROM-
NORTHERN PIKE
EARLY LIFE STA-
963.
H
S
87. SODIUM DICHROM-
RAINBOW TROUT
EARLY LIFE STA-
1600
S
88. SODIUM DICHROM-
WALLEYE
EARLY LIFE STA-
2167.
t
S
89. SOOIUM DICHROM-
WHITE SUCKER
EARLY LIFE STA-
1973
*
S
96. SULFURIC ACID
WHITE SUCKER
EARLY LIFE STA-
91. THALLIUM
FATHEAD MINNOW
EARLY LIFE STA-
40.
92. ZINC CHLORIDE
SOCKEYE SALMON
CHRONIC-AOULT
112.
t
S
93. ZINC CHLORIDE
SOCKEYE SALMON
EARLY LIFE STA-
242.
t
s
94. ZINC SULFATE
BROOK TROUT
CHRONIC-ADULT
1330.
E-
s
95 ZINC SULFATE
FATHEAO MINNOW
CHRONIC-EGGS
295.
s
96. ZINC SULFATE
FATHEAO MINNOW
EARLY LIFE STA-
295
s
97 ZINC SULFATE
FLAGFISH
CHRONIC—EGGS
139.
s
93. ZINC SULFATE
RAINBOW TROUT
EARLY LIFE STA-
260
ES
s
99 ZINC SULFATE
ZEBRAFISH
ACUTE EGG TOX
19000.
An asterisk in Column 4 indicates that the concentration value in Column
3 produced no effect. In all other cases, Column 3 concentration data
are derived from end points exhibiting an effect; additional end points
examined but showing no effect are indicated by letter codes in Column
4 (H = hatch; ES = egg survival; LS = larval survival; G = growth). HG/L
= micrograms/liter.
40
-------
The positional effect evident in the case of the dichlorobenzenes is
interesting, but it can only be speculated that, for example, the toxic
effect of multiple chlorination may be reduced if the chlorine atoms are
isolated from resonance interaction as in the case of 1,3-dichloro-
benzene.
In all but a few cases, data on inorganic materials were obtained
from dynamic (flow) tests, and concentrations (nearly all specified as
the ion, Cu"*"1", etc.) were measured. Thus, the chief variables are those
shown in Table 11, which is sorted by chemical, then by species, and
then by test type. Visual inspection of Table 11 indicates that, with
few exceptions, the range of reported minimal toxic concentrations
(Column 3) varied approximately by a factor of 10 or less for each
compound with variations in test type (Column 2), species (Column 1),
effect category and hardness (Column 5; H = values >99). This is shown
in Table 12. Table 11 also shows the lack of consistent relationships
Table 12
VARIATIONS IN REPORTED MINIMAL
TOXIC CONCENTRATIONS OF INORGANIC MATERIALS
Number Toxic Concentration Exceptions
Material of Cases (ug/L) (row number
in Table 11)
Cadmium
19
3.4
to
24.7
4,
11, 16, 20
Chlorine
6
10
to
160
24
Copper
24
9
to
104.6
31
Cyanide
5
5.2
to
62.9
Lead
9
33.5
to
483
66
Zinc
8
112
to
295
94,
99
in the data that would allow causes of variation to be attributed
specifically to one or more of these variables. Most of the exceptional
concentration data are associated with acute egg toxicity and/or a
chemical or species that appears only once or twice in the data base
(Rows 1, 4, 16, 99). As in the case of the organic data base, the
inorganic data are consistent with the relatively hearty nature of the
carp (Row 73 vs. Row 74), but the organic exceptions are more numerous.
From the minimal toxic concentration ranges (yg/L) in the inorganic
data base (exceptional data omitted), relative toxicities may be ranked,
in part, as shown in Table 13.
41
-------
Table 13
PARTIAL RANKING OF INORGANIC
MATERIALS BY TOXICITY
Rank
Material
Minimal Toxic
Concentration
Range
(Wg/L)
Rank
Material
Minimal Toxic
Concentration
Range
(Wg/L)
1
h2s
1 1.8
8
Zn"^
112
295
2
Cd"^
3.4 - 24.7
9
nh3
190
3
CN"
5.2 - 62.9
10
Cr 2 O7
305
6,000
4
++
Cu
9 - 104.6
11
730
3,000
5
ci2
10 - 310
12
Se^
3,000 -
5,005
6
Hg^
15 - 3,000
13
Fe4-1"
6,000 -
12,000
7
Pb"^
33.5 - 483
Interactions between water chemistry and toxicity were also consid-
ered. Hardness and metals were selected to evaluate the interaction
between chemical effects and water quality because this system is
thought to be fairly well understood, with increasing hardness generally
reducing the toxicity of the metals. The effect of water hardness on
the toxicity of heavy metals is shown in Table 14. From inspection of
the table it is apparent that several problems hinder meaningful
analysis of the data. The number of studies performed is heavily biased
in favor of determinations made in soft water. This precludes any
reasonable estimate of comparable toxicity in hard water. Also, the
range of values associated with studies performed in soft water is
large—often over an order of magnitude. This indicates that other
factors (test species, individual test methodology, etc.) contribute
more variability to the data than would be expected from variations in
water quality.
42
-------
Table 14
EFFECT OF WATER HARDNESS ON THE REPRODUCTIVE
TOXICITY OF HEAVY METALS
Metal
Cd
Cu
Zn
Cr
Pb
Concentration (ug/L)
Producing Effects
Hard Water
Range
12->87
8->71
Avg_
39.
32.7
Concentration (lig/L)
Producing Effects
Soft Water
No. of
Studies
Range
Avg_
Embryo-larval Studies
3.7- >55
5- 104
104- 245
105-2167
83- 483
15.6
56.3
244.
1648.
231.
No. of
Studies
11
12
3
7
6
Chronic Studies
Cd
Cu
Zn
Cr
Pb
80 80
33- 38 36
1.6- 8.1
17.4- 40
139-1300
119
4.4
28.7
456.
119
The results of this preliminary analysis indicated that there was little basis,
In terms of methodological and biological factors, for further subdivision of the
organic and inorganic data bases for structure-activity classification and
analysis. Rather, the two data bases appeared to be relatively homogeneous. One
clear exception is plutonium, for which the toxicity is presumably associated—at
least in part—with the unique radioactive properties of the metal.
Tables 15 and 16 contain the data used in subsequent structure-activity
analysis of the organic data base.
43
-------
Table 15. Organic Chemicals: Kegrost; i on Analysis I'.ir .inu-1 «•> r,
0 II
ROUNAME |CL'A8S
2
MOLMT
3
LOG< l/C >
4
F I
3
FP
6 CO >
ESTIMATES OF
KPEIC UAR
7
DEVI
8
HE
1 MALATHION
[POS
330 36
-1 979323
e
e
-1 831391
*
2 ENORIN
XBI
382 954
1060253
o
e
-1 213316
3 BCRIH
XBI
382 954
09178491
0
0
-1 213316
4. KEPONE
X8I
543 394
- 341884
0
0
751664
5. CflPBOFURfiW
CON
221 26
-2 016825
0
0
-3 170054
6. MALATHIOH
POS
330.36
-1 433253
0.
0
-1 831391
7. METHOXYCHLCR
XALAR
343 667
-1 82307
0
0
-1 666267
8 METHYLMERCURIC CHL0RI0E
rc
231.082
-1 068532
0
0
-2 810183
9. METHOXYCHLOR
XALAR
343 667
4417479
0
0
-1 666267
10 atrazine
MAR
213 697
-3 523408
0
0
-3 238133
*
It ATRAZINE
MAR
213.697
-2 64388
0
0
-3 238133
*
12. ATRAZINE
MAR
213.697
-2.994336
0
0
-3 238133
*
13. LINDANE
XAL
290 856
-1 73643
0
0
-2 329135
14. LINDANE
XAL
290 836
-1 905338
0
0
-2 329133
*
15 CAPTAM
MIS
300 608
-1.040313
0
0
-2 211214
16. DOT
XPLAR
354 511
-3.927492
0
0
-1 359387
17 NITRILOACETATE- SODIUM
MIS
257.092
-3.3213
3
0
-3 143017
17
*
IS RDX; CYCLOTRIMETHYLENE TRIH-
MIS
222 129
-4.343391
0
0
-3.160344
19 ROX; CYCLOTR1METHYLENE TRIN-
MIS
222.129
-3 732376
0
0
-3 160344
20 RDX, CYCLOTRI METHYLENE TRIN-
MIS
222 129
-4 416623
0
0
-3 160344
*
21. NITROGLYCERINE
MIS
227 097
-2 685181
0
0
-3 100261
22. NITROGLYCERINE
MIS
227 097
-2 81988
0
0
-3 100261
23. NITROGLYCERINE
MIS
227.097
-2.72297
0
0
-3 100261
24. 2,4-OINITROTOLUENE
ARN02
182.141
-4 18675
0
0
-3 643962
23. SEUINC CARBARYL >
CON
201 228
-3 529459
0
0
-3 413123
26. 3-CHLOROURACIL
UCON
146.341
-3 834041
0
2
-6 191263
27 CHLORflMINE
MIS
191.645
-2 796684
0
0
-3 52932
28. CHLORDANE
XSI
409.814
.1074368
0
0
-8904688
29 CHLORDANE
XBI
409 814
- 4737731
0
0
- 8904688
30. CHLORDANE
XBI
409 814
-.831438
0
0
- 8904688
31 . DIA2IN0N
POS
283.393
-1.383406
0.
0
-2 395223
32. OIAZIMON
POS
285 393
-1.326828
0
0
-2 395223
33. PENTACHLOROPHENOL
OHAR
266 359
-2.864367
0
0
-2 625424
34. CHLORDANE
XSI
409 814
-2905032
0
0
-8904688
35. TRIFLURALIH
NAR
335.295
-.5885163
0
0
-1 791707
36. TOLBUTAMIOCCNA)
MIS
270 358
-6 966001
3
0
-4 984577
36
37. TRYPAN BLUE
MIS
872.91
-7 155941
16
0
-8 129849
37
38. 2/4«5—TRICHLOROPHENOXYACETJ-
MIS
255.499
-4 893641
2
0
-4 361777
38
39 OIELDRIN
XBI
380 938
- 7201737
0
0
-1 239697
40. DOT
XAL/*
354 511
- 7514003
0
0
-1 539307
41 PICLORAH
MIS
241.477
-2 161192
0
0
-2 926348
42 OINOSEB
OHAR
240.222
-I.619387
0
0.
-2 941526
43. D9-TETRAHY0R0CANNA6IN0L
OHAR
314 471
-4 201389
0
0
-2 043554
44. 2—ACETYLAHINQFLUOREHE
HAR
223.277
-4.952186
0.
0.
-3.14646
45. THALIDOMIDE
UCON
238.239
-4 999983
0
2.
-4 840381
43
46. METHYUIERCWtY
MC
230.66
-2.239088
0.
0
-3 05717
47. 1,2-OICHLOROPRCPA«
XAL
112.995
-5.549001
0
0
-4 480219
48. 13-OlCHLOROPROPENE
HAL
110.979
-2.899242
0.
0.
-4 3046
49- 1.2,4-TRICHLOROBENZENE
ARX
181.461
-2.693439
0.
0
-3 632186
30 2,4,6-TRJCHLOROPHENOL
OHM
197.461
-4 026738
0
0.
-3 439681
SI 1-2-OICHL0RO8EN2ENE
ARX
147.012
-3.548651
0.
0.
—4.068813
32 BUTYL BENZYL PHTHALATE
COAR
312 369
-3 061633
0
0.
-2 068973
*
53 4-6R0M0PHENYL PHENYL ETJCR
ARX
249.12
-2 552901
0
0
-2 833913
54. HEXACH-OROETHfiHE
XAL
236.764
-3.470782
0
0
-2 983348
55 2,3-OIHnKUfOUJENE
ARN02
182.141
-3.170956
e
0.
-3 643962
36- 2.4-OIf1£THYU>HEHOL
OHAR
122.168
-4.782274
0
0
-4 36929
57. 2,4-OlNITROPHENOL
OHAR
184 114
-3 325978
0.
0
-3 6201
*
-------
Table 15 (Concluded)
0
ROMNAME
1
CLASS
2
HOLMT
3
LOGClsO
4
FI
3
FP
6 <0>
ESTIMATES OF
DEPEND MAR
7
OEV
8
HE
38. 1 < 1-OICHLOROETHYLENE
XAL
96 952
-4.460601
0.
0.
-4 674244
33 2-CHLOROPHENOL
OHAR
128.363
-4.492944
0
0.
-4 291938
60 NITROBENZENE
ARN02
123 114
-3.414643
0.
0.
-4 337839
61. NAPHTHALENE
ARALP
128.174
-3.535633
0.
0.
-4.296643
62 ETHYLBENZENE
ARALP
106.168
-3.617439
0.
0.
—4.362785
63. CARBON TETRACHLORIDE
XAL
133.839
-4.344413
0.
0.
-3.986248
64. 8IS< 2-CHL0R0ETHYL XTHER
XflL
143.022
-5.123351
0.
0
-4.11707
*
63. ENDRIN
XBI
382.964
-4.713707
0.
0.
-1.215316
66 ENDRIN
XBI
382.934
-5.399123
0.
0.
-1.213316
67, HEXACHLOROETHANE
XAL
236.764
-3.941655
0.
0.
-2.983346
*
68 PENTACHLOROETHANE
XAL
202.313
-4.306736
0.
0.
-3.399976
69. 1 > 2-OICHLOROETHANE
XAL
96.968
-3.466903
0.
0.
-4.649862
*
70. hi, 2-TRICHLOROETHANE
XAL
133.417
-5.558736
0.
0.
-4.233233
71 lA,Zi 2-TETRACHLOROETHANE
XAL
167.866
-4.911738
0.
0.
-3.816603
72. TETRACHLOROETHYLBC
XAL
163.83
-4.227443
0.
0.
-3.840986
73. HEXACHL0R08ENZENE
ARX
284.808
-1.223033
0.
0
-2.4023
*
74. 1/3-O1CHL0RO8EN2ENE
ARX
147.012
-4.188099
0.
0
-4.068813
*
73. l,4-OICHL0RO6EN2ENE
ARX
147.012
-3.849681
0.
0.
-4.068815
76. 1>2/ 4-TRICHL0RO6ENZENE
ARX
161.461
-3.741631
0.
0
-3.652186
77. l/2< 3<4-TETRACHL0RO8EKZENE
ARX
215.91
-3.288625
0
0.
-3.235557
78. 2> 4 <6-TRINITROTOLUENE
ARN02
227.141
-3.041643
0.
0.
-3.099729
79. CHLORAMINE
MIS
227.67
-2.314792
0.
0.
-3 093331
80 pentachloropfcnql
OHAR
266.399
-1.675563
0.
0.
-2.625424
81 ENDRIN
XBI
382.934
-.07961123
0.
0.
-1.215316
82. HEPTACHLOR
XBI
373.349
-.778133
0
0.
-1.331479
83. CHLOROANE
XBI
409.814
-1.617862
0.
0.
-.8904686
84. NIFURPIRINOLCFURANACEJ
ASN02
246.228
-3,608663
0.
0.
-2.068889
83. AZlNPHOS-ttETHVUGUTHION)
POS
317 34
-.2066434
0
0.
-2 008836
86 ENDRIN
XBI
382.954
.4370186
0.
0.
-1.215316
87. DOT
XAUW
354.511
-.6350617
0.
0.
-1.539307
88 HEPTACHLOR
XBI
373.349
-.7066386
0.
0.
-1.331479
89. OIAZINON
P08
285.393
-.3438972
0.
0.
-2.395223
90. 3-TRIFT-UOROhETHYl_-4-WITROPH-
OHAR
207.117
-3.762966
0.
0.
-3.3419
91. THIMEROSALCNERTHIOLATE)
HC
404.017
-6.392741
2.
0.
-2 335913
91
92. FORMALOEHYOe< FORMALIN)
MIS
30.027
-7.698379
0.
2.
-7.600393
92
93. MALACHITE GREEN
NAR
303.377
-3.714919
3.
0.
-3.391111
93
94. PHENYLMERCURIC ACETATE
NC
336.742
-2.171673
0.
6.
-1.774207
93. CYGON
POS
229.266
-6.05296
0.
2.
-5.190783
95
96 AFLATOXIN 81
COAR
312 283
-2.204422
0.
0.
-2.070016
97. ENDRIN
XBI
382.934
-4.713707
0
0.
-1.213316
98. D1AZIN0N
POS
285 393
-1.344557
0.
0.
-2.395225
99. PHOSPHAMIOON
POS
313.729
-3.406535
0.
2.
-4.169282
99
100 MALATHION
POS
330.36
-2.878953
0.
8.
-1.851391
101. SEV1N
CON
201.228
-3.571373
0.
8.
-3.413123
102. FENI TROTHION
POS
277.244
-2.955078
0.
0.
-2.49378
103 METHOXYCttOR
XALMt
345.667
1.338636
0.
0.
-1.666267
104. MIREX
XBI
545.394
1.73687
0.
0.
.731664
105. METHYLMERCURIC CHLORIDE
MC
251.082
-2.077306
0.
0.
-2.810185
166 KEPONE
>®I
543.394
- 1204«29
0.
0.
.731664
Col. 1: See Table 2. Col. 2 - Molecular Weight. Col. 3: C = the
minimal toxic concentration (nanomoles/llter) as defined in "Methods of
Analysis." Cols. 4 and 5: polarity factors defined in "Results of
Analysis." Col. 6: Log (1/c) predicted by the correlation (see
"Results of Analysis"). Col. 7: Row numbers deviating from Mol. Wt. -
Hydrophobicity relationship (see "Results of Analysis"). Col. 8: * =
No Effects observed.
45
-------
Table 16. Organic Chemicals: Log P Subset
0 1
ROWNAME
|1
| CLASS
2
LOGP
3
MOLWT
4
LOG<1'C >
5
OEU
1. ETHYLBENZENE
ARALP
3 15
106 168
-3 617459
2. NAPHTHALENE
ARALP
3.37
128 174
-3 535653
3. 2,3-DINITROTOMFNF
ARN02
2.5
182 141
-3.170956
4. 2,4,6-TRINITROTOLUENE
ARN02
2.4
227.141
-3.041645
3. 2,4-DINITROTOLUENE
ARH02
2.01
182.141
-4.18675
6. NIFtJRPIRINOL(FURANACE?
ARN02
1.55
246.228
-3 608663
7. NITROBENZENE
ARN02
1 85
123 114
-5.414843
8. 4-TETRACHL0R0BENZENE
ARX
4.99
215.91
-3.280625
9. 1>Z,4-TRICHLOROBENZENE
ARX
4.26
181 461
-2 695459
10. 1/2/4-TRICHLOROBENZENE
ARX
4.26
181.461
-3.741651
11 1,2-DICHLOROBENZENE
ARX
3.38
147.012
-3.548651
12. 1/3-DICHLOROBENZENE
ARX
3.38
147.012
-4.188099
13. 1,4-01CHLOROBENZENE
ARX
3.39
147.012
-3.849681
14. 4-BROMOPHENYL PHENYL ETHER
ARX
4.28
249.12
-2.552981
15. HEXACHL0R06ENZENE
ARX
6. IB
284.808
-1 223055
16. BUTYL BENZYL PHTHALATE
COAR
5.3
312.369
-3.061635
17. CARBOFURAN
CON
2.55
221.26
-2 016825
18. SEUIN< CARBARYL >
CON
2.36
201.228
-3.529459
19. SEUII-K CARBARYL)
CON
2.36
201.228
-3.571373
20. Z. 4,5-TRICHLOROPHENOXYACETI-
MIS
3.86
255.499
-4.893641
21 FORMALDEHYDE
MIS
-.96
30.027
-7.693579
21
22. NITROGLYCERINE |
MIS
2.
227.097
-2 685181
?3 NJTRnrjYCFRINE |
MIS
2.
227 097
-2.72297
24. NITROGLYCERINE
MIS
2.
227.097
-2 81988
25 PICLOPAM
MIS
2.1
241.477
-2.161192
26. TOLBUTAMIDES)
MIS
2.34
270 356
-6 966001
27. CAPTAN 1
MIS
2.35
300.608
-1.040513
28. 2-ACETYLAMINOFLUORENE
NAR
3.
223.277
-4.952186
29. ATRAZINE
NAR
81
215.697
-2 64388
30. ATRAZINE
NAR
.81
215.697
-2.994536
31. ATRAZINE
NAR
.81
215 697
-3 523488
32 MALACHITE GREEN
NAR
.62
385 577
-3 714919
32
33. TR1FLURALIN
NAR
4.15
335 295
-.5885163
34. 2>4,6-TRICHL0R0PHEN0L
OHAR
3.38
197.461
-4.026738
35 Z>4-DIMETHYLPHENOL
OHAR
2.5
122.168
-4 782274
36 2»4-01NITROPHENOL
OHAR
1 33
184 114
-3.325978
37. 2-CHLOROPHENOL
OHAR
2 17
128.563
-4.492944
38. 3-TRIFLU0R0METHYL-4-NITROPH-
OHAR
2 87
207.117
-3.762966
39. 09-TETRAHY0R0CANNABINOL
OHAR
3.16
314.471
-4.201389
40. DINOSEB
OHAR
4,6
240.222
-1.619387
46
-------
Table 16 (Concluded)
e 1
ROWNAME I
CLASS
2
LOGP
3
MOLMT
4
LOG< 1/C>
5
OEU
41. PENTACHLOROPHENOL J
OHAR
5.01
266.359
-1.875563
42. PENTACHLOROPHENOL
OHAR
5 01
266.359
-2.864567
43. A?TNPHOS-«CrrHYL
POS
1 .87
317.337
-.2060495
44. CYGON
POS
.24
229 266
-6 05296
44
45 MALATHIOH
POS
2.89
330.36
-1.435255
46. MALATHIOH
POS
2.89
330.36
-1.979323
47 MALATHIOH
POS
2.89
330 36
-2.878953
48. PHOSPHAMIDON
POS
1.06
313.729
-5.406535
48
49 5-CHLOROURACIL
UCON
-33
146.541
-3.834041
49
50. THALIDOMIDE
UCON
.33
258.239
-4.999985
56
51 1/1/2/2-TETRACHLOROETHAHE
XAL
2.56
167.866
-4.911758
52. 1/1,2-TRICHLOROETHANE
XAL
2.07
133.417
-5.558736
53. 1,1-OlCHLOROETHYLENE
XAL
1.48
96.952
-4.460601
54. 1/2-OICHLOROETHAHE
XAL
1.48
98.968
-5.466903
55. 1/2-01CHLORQPROPANE
XAL
2.28
112.995
-5.549001
56. 1 / 3-DICHL0R0PR0PENE
XAL
1.96
110.979
-2.899242
57. BIS< 2-CHL0R0ETHYL >ETHER
XAL
156
143.022
-5.123351
58 CARBON TETRACK.OR106
XAL
2 64
153.839
-4.344413
59. HEXACMLOROETHANE
XAL
3.34
236.764
-3 470782
60. HEXACHLOROETHANE
XAL
3.34
236.764
-3 941655
61 LINDANE
XAL
3 72
290.856
-1.75643
62 LINDANE
XAL
3.72
290.856
-1 905538
63. PENTACHLORDTTHAHE
XAL
3.64
202 315
-4.306756
64 tetrachlqroethylene 1
XAL
2.88
165.85
-4.227443
65 DOT
XALAR
5.13
354.511
-.6350617
66. DDT
XALAR
5.13
354.511
-.7514003
67. DDT
XALAR
5.13
354 511
-3.927492
68. METHOXYCHLOR
XALAR
3.8
345.667
1.538658
69 METHOXYCHLOR
XALAR
3.8
345.667
.4417479
70. METHOXYCHLOR
XALAR
3.8
345.667
-1.82307
71 CHLOROAHE
X8I
2.78
489.814
.1074368
72 CHLORDANE
X8I
2.78
409.814
-.2905032
73. CHLOROAHE
XB1
2.78
409.814
-.4737731
74. CHLORDANE
XBI
2.78
409.814
-.831458
75. CHLOROAHE
XBI
2.78
409 814
-1.617862
76 DIELORIN
XBI
4.56
380.938
-.7201757
77. ENDRIN
XBI
5.6
382.954
.4370186
78. ENDRIN
XBI
5.6
382.954
.1060253
79. ENDRIN
XBI
5.6
382.954
.09178491
80. ENDRIN
XBI
5.6
382.954
-.07961123
81. ENDRIN
X8I
5.6
382 954
-4.715707
82. ENDRIN
XBI
5.6
382.954
-4.715707
83 ENDRIN
XBI
5 6
382.954
-5.399123
84 HEPTACHLOR
XBI
5.05
373.349
-.7066386
85 HEPTACHLOR
XBI
5.05
373 349
-.778133
86. KETONE
XBI
3.96
545.594
-.1204629
87. KEPONE
XBI
3.96
545.594
-.541884
88. MIREX
|X8I
3.96
545.594
1.73687
See footnote to Table 15; LOGP - Log P (octanol/water partition
coefficient).
47
-------
RESULTS OF SAR ANALYSIS
Because Log P data were not available for all compounds, initial
analysis on the entire organic data base (106 citations, 72 compounds,
Table 15) was limited to examination of the influence of molecular
weight on potency. The influence of this parameter proved to be
substantial even though the initial correlation was very poor (Fig.
1). Deletion of a single data point (trypan blue, one citation only)
resulted in an increase in the correlation coefficient from R = 0.42 to
R = 0.63 for the relationship: Log (1/c) - Slope (Mol. Wt.) - Intercept
(Fig. 2).
The reason for the extreme deviation in the relationship between
potency and molecular weight exhibited by trypan blue is apparent if one
examines the relationship between Log P and molecular weight within the
data base (Table 16, Fig. 3). Although trypan blue has the highest
molecular weight in the data base (872.9), its Log P value (unavailable)
is probably much lower than expected (~7) on the basis of molecular
weight due to the large number of polar functional groups in the
molecule (4 sulfonates, 2 phenolic OH, 2 aromatic NH2).
It is interesting to note in Fig. 3 that most compounds showing
extreme deviation in this relationship are unusual in that a substantial
portion of each deviant molecule (numbered points in Fig. 3; Table 16,
"DEV") consisted of highly polar groups (phoshamidon, malachite green,
formaldehyde, thalidomide, cygon, and 5-chlorouracil). These findings
suggested that the relationship between potency and molecular weight was
largely a reflection of the dependence of potency on hydrophobicity.
The six extreme deviants were omitted to illustrate the relationship of
Log P to molecular weight for the remainder of the compounds (Fig. 4).
The relationship of potency to hydrophobicity was examined using
the entire organic data base with the exception of the 10 compounds (16
literature citations) for which Log P data were unavailable. The only
additional compound omitted at this stage of the analysis was phenyl-
mercuric chloride (2 citations), which clearly did not fit into the
correlation (Table 16). This additional omission is entirely justified
because, as the only remaining organometallic compound, this chemical
would fail to define the place of organometallics as a class in the
overall relationship and would thus simply introduce useless variation
or "noise." The resulting correlation is In no way biased by such an
omission except that it obviously does not pertain to the general class
of organometallic compounds. The results of this initial correlation
using Log P were as follows: R » 0.465; F ™ 23.78 for the relation-
ship: Log (1/c) - 0.592 (Log P) - 4.718 (Fig. 5). A considerably
better correlation was obtained using molecular weight as the
independent variable: R ¦ 0.69; F » 78.22 for the relationship: Log
(1/c) - 0.012 (Mol. Wt.) - 6.157 (Fig. 6).
49
-------
2
1.
e.
-l.
-2.
-3.
-4.
-5.
-6.
-7.
-8.
-f-
-4-
-»
e. 100. 200. 300 . 400. 900. €00 . 700 . 000 . 900.
MOLWT
+ LOG
-4.772~.006945*X
NUMBER OF DATA POINTS « 106
CORRELATION COEFFICIENT R - .4201043 R-8QUARED • .1764876
STANDARD DEUIATION OF REGRESSION - 1.760062
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEUIATION
T-VALUE
-11.01133
SIC. LEU.
INTERCEPT
-4.772283
.4333887
.6001
SLOPE
006943103
.001471092
4.721052
.0001
ANALYSIS OF UARIANCE TABLE
SOURCE
SUM OF
SQUARES
D.F.
MEAN
SQUARE
F UALUE
SIC. LEU.
REGRESSION
69.04517
1.
69.04517
22.28832
.0001
RESIDUAL
322.1731
104.
3.097819
Fig. 1. Relationship of Potency to Molecular Weight: Entire organic data
base (72 chemicals).
50
-------
L
0
G
<
1
/
C
)
2.
1
e. ¦
-l.
-2. ¦
-3. •
-4.
-5.
-6.
-7.
-8.
e
—~—
100.
i
200.
—»-
300.
400.
550.
MOLWT
~ LOGCl'C)
A1
NUMBER OF DATA POINTS - 105
CORRELATION COEFFICIENT R - .6288601 R-80UARED « .3954651
STANDARD DEUIATION OF REGRESSION - 1.47934
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEUIATION
T-UALUE
SIG. LEU.
INTERCEPT
-3.968952
.4062959
-14.69115
.0001
SLOPE
.01176474
.001433244
8.208467
.0001
ANALYSIS OF UARIANCE TABLE
SOURCE
SUM OF
isyssiL
147.4551
D.F.
MEAN
SQUARE
F UALUE
SIG. LEU.
REGRESSION
1.
147.4551
67.37891
.0001
RESIDUAL
225.41
103.
2 188446
Fig. 2. Relationship of Potency to Molecular Weight: 71 organic chemicals.
51
-------
L
0
G
P
6.5t
0. 100.
MOLWT
200.
300.
400.
950.
+ LOOP
1.271+.006993**
NUMBER OF DATA POINTS - 88
CORRELATION COEFFICIENT R « .4941924 R-SQUARED
STANDARD DEVIATION OF REGRESSION ¦ 1.341388
.2442261
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEVIATION
T-OALUE
SIC. LEU.
INTERCEPT
1.271032
.3788441
3.355028
.0012
SLOPE
.006992547
.001326435
5 271684
.0001
ANALYSIS OF UARIANCE TABLE
SOURCE
REGRESSION'
SUM OF
SQUARES
50 00428
D.F.
1.
MEAN
SQUARE
F UALUE
SIG LEU.
50.80428
27.79065
0001
RESIDUAL
154.7416
86.
1.799321
Fig. 3. Relationship of Log P to Molecular Weight: 61 organic compounds ( )
including 6 highly polar compounds ( ). Numbered points are row numbers in
Table 16.
52
-------
0. ' <¦)'»' I ' 1 <
0. 100 200 . 300 . 400 . 950.
MOLWT
~ LOCP
1.616+.006442**
NUMBER OF DATA POINTS - 82
CORRELATION COEFFICIENT R ¦ .5161486 R-SQUARED - .2664093
STANDARD DEMIATION OF REGRESSION « 1 155535
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEVIATION
T-UALUE
SIG. LEU.
INTERCEPT
1.615974
.3439065
4.698877
.0001
SLOPE
.006441892
.001195145
5.39005
.0001
ANALYSIS OF VARIANCE TABLE
SOURCE ISUM OF D.F.
MEAN
F UALUE
SIG. LEU.
¦SQUARES
SQUARE
38.7929
29.05264
.0001
Ires i dual 1106.821 I80.
I 335262
Fig. 4. Relationship of Log P to Molecular Weight: 6 highly polar organic
compounds excluded (55 compounds).
53
-------
-2.
-3.
+~
-4
-5.
-6.
-8.
5
6.5
3
4
2
0
1
1
LOGP
+ LOGUsO
-4.718+.5922*X
NUMBER OF DATA POINTS « 88
CORRELATION COEFFICIENT R « .465415 R-SQUARED - .2166111
STANDARD DEVIATION OF REGRESSION » 1 73772
PARAMETER TABLE
PARAMETER
FITTED
VALUE
-4.718147
STANDARD
DEVIATION
T-VALUE
SIG LEV.
INTERCEPT
.4218092
-11.1855
0001
SLOPE
.5922066
.121443
4.876418
0001
ANALYSIS OF VARIANCE TABLE
SOURCE
SUM OF
SQUARES
D.F.
MEAN
SQUARE
F VALUE
SIG. LEV.
REGRESSION
71.80613
I.
71.80613
23.77945
0001
RESIDUAL
259.6918
86.
3.019672
Fig. 5. Relationship of Potency to Log P: 61 organic compounds.
54
-------
L
0
G
<
1
/
C
)
2.
1 . < -
0. ¦¦
-1 .
-2. ¦ ¦
-3 -
-4. < >
-5. -
~
-6. ¦
-7. <
-8. i
— %—
0 100
MOLWT
1—
200.
300.
400.
550.
+ locu^o
-6.157+ 01243*X
NUMBER OF DATA POINTS ¦ 88
CORRELATION COEFFICIENT R • .6901565 R-SQUARED
STANOARO DEUIATION OF REGRESSION - 1.428777
PARAMETER TABLE
.476316
PARAMETER
INTERCEPT
FITTED
UALUE
STANDARD
DEUIATION
T-UALUE
SIC. LEU.
-6.156393
.4812657
-15.34293
0001
SLOPE
.01242567
.081404939
8.844273
.0001
ANALYSIS OF VARIANCE
TABLE
SOURCE ISUM OF
¦SQUARES
D.F.
MEAN
SQUARE
F UALUE
SIG. LEU.
1.
157 8978
78.22118
.8001
I RESIDUAL 1173.6801 |86
2.018606
Fig. 6. Relationship of Potency to Molecular Weight: 61 organic compounds.
55
-------
On evaluation of the residuals in the initial Log P regression
analysis, it was apparent that the correlation could be improved by the
elimination of specific compounds as described in "Method of
Analysis." In that the basis for such elimination was structural, it
was clearly valid since it simply excluded an entire chemical class from
consideration. The relationship derived in this manner is, of course,
limited to compounds belonging to those chemical classes included in the
analysis. Furthermore, with respect to each of those classes that were
included, the reliability of the relationship obviously varies with the
number of compounds that were available as representatives of that
class.
A reasonable correlation between potency and Log P was obtained for
a limited portion of the data base (Table 17) consisting of 35 compounds
(39 citations) in 6 chemical classes (Fig. 7). The correlation between
potency and molecular weight was very similar (Fig. 8). In multiple
regression analysis, Log P proved to be the better of these two param-
eters, but both were significant as independent contributors to potency;
Log (1/c) = 0.411 (Log P) + 0.0068 (Mol. Wt.) - 6.28
R - 0.754 F = 23.74 n = 39
Together these two parameters accounted for nearly 60% of the variation
(R = 0.57) in potency among the 35 compounds. Individual potency
values predicted by this correlation are shown in Table 17 (Column 5).
For the remaining 26 compounds for which Log P data were available (49
citations), molecular weight was the more effective parameter and
accounted for nearly 40% (F2 = 0.39) of the variation in potency (Fig.
9).
The possible importance of a number of structural variations could
not be adequately evaluated within the organic data base because of
inherent limitations in quality and diversity. For example, the differ-
ence in potency between methoxychlor and DDT suggested a dependence on
the nature of the para substituent (OCH3 vs. CI). However, the varia-
tions in potency values for methoxychlor (-1.8 to 1.5) and DDT (-3.0 to
-0.64) were greater than the apparent difference in potency values for
methoxychlor vs. DDT; furthermore, two examples are hardly sufficient
for defining the nature of substituent effects in a given subclass.
These problems were even more apparent if one considered the variations
in potency shown by compounds such as endrin (-5.399 to 0.437), chlor-
dane (-1.618 to 0.107), and malathion (-2.878 to -1.434). Variations of
such magnitude in the potency values for individual compounds precluded
the identification of subtle structural effects on potency where the
magnitude of such effects may be less than the experimental variation in
the potency values for each compound.
56
-------
Table 17. Organic Chemicals: Subgroup Classes and Regression
Parameters
3
ROWNAME
1
CLASS
2
LOGP
3
MOLUT
4
LOGCl^C )
5
ESTIMATES OP
DEPEND. UAR.
1. 2,3-DINITROTOLUENE
ARN02
2.5
182.141
-3 170956
-4.009843
2 2,4,6-TRINITROTOLUENE
0RN02
2.4
227.141
-3.041645
-3.743098
3. 2,4-DINITROTOLUENE
ARN02
2.01
182.141
-4 18675
-4.21128
4. NIFURPIRlNOL
ARN02
1.55
246 228
-3.688663
-3.961952
3. NITR0BEN2ENE
ARN02
1.85
123.114
-5.414843
-4 680872
6. l,2»3,4-TETRACHL0R06ENZENE
f*X
4.99
215.91
-3.280623
-2.75519
7. 1,2,4-TRICHLOROBENZENE
ARX
4.26
181.461
-2.695459
-3.290964
8. 1>2;4-TRICHLOROBENZENE
ARX
4.26
181.461
-3.741651
-3.290964
9. 1>2-DICHLOROBENZENE
ARX
3 38
147.012
-3.348651
-3.888482
10. 1,3-0ICHLOROBENZENE
ARX
3.38
147.012
-4.188099
-3.888402
11 1,4-0ICHLOROBENZENE
ARX
3.39
147.012
-3.849681
-3.884291
12. 4-6R0M0PHENYL PHENYL ETHER
ARX
4.28
249.12
-2.552981
-2.819873
13. HEXACHLOROBENZENE
ARX
6.18
284.888
-1.223055
-1.794639
14. 2,4,6-TRICHL0R0PHEN0L
OHAR
3.38
197 461
-4.026738
-3.54327
15 2>4-01ME THYLPHENOL
OHAR
2.5
122.168
-4.782274
-4.420131
16. 2/4-DINITROPHENOL
OHAR
1.53
184.114
-3.323978
-4.395109
17 2-CHLOROPHENOL
OHAR
2.17
128 563
-4.492944
-4.512043
18 3-TRIFLU0R0METHYL-4-NITR0PH-
OHAR
2.87
207.117
-3.762966
-3 686871
19. 09-TETRAHYOROCANNABINOL
OHAR
3.16
314.471
-4.201389
-2.833221
20. OINOSEB
OHAR
4.6
240.222
-1.619387
-2.749195
21. PENTACHLOROPHENOL
OHAR
5 01
266.359
-1.875563
-2.401836
22. PENTACHLOROPHENOL
OHAR
5 01
266.339
-2.86456?
-2.401836
23 1»1.»2»2-TETRACHLOROETHANE
XAL
2.56
167.866
-4.911758
-4.082835
24. 1,1,2-TRICHLOROETHANE
XAL
2.67
133.417
-5.558736
-4.519943
25. 1,1-OICHLOROETHYLENE
XAL
1.48
96.932
-4.460601 !
-5.011957
26. 1,2-OICHLOROETHANE
XAL
1.48
98.968
-3.466903
-4.998166
27. 1,2-OICHLOROPROPANE
XAL
2.28
112.995
-5.549001
-4.573326
28. 1< 3-OICHLORGPROPENE
XAL
1.98
110.979
-2 899242
-4.710447
29 BIS< 2-CHLORQETHYL)ETHER
XAL
1.38
143.022
-5.123331
-4.655673
30. CARBON TETRACHLORIDE
XAL
2 64
133.839
-4.344413
-4.145909
31. HEXACHLOROETHANE
XAL
3.34
236.764
-3.470782
-3.290834
32. HEXACHLOROETHANE
XAL
3.34
236.764
-3.941655
-3.290834
33. LINDANE
XAL
3.72
290.856
-1.75643
-2 764562
34. LINDANE
XAL
3.72
290.856
-1.905538
-2 764562
35. PENTACHLOROETHANE
XAL
3.64
202.315
-4.306756
-3.403177
36. TETRACHLOROETHYLENE
XAL
2.88
165.85
-4.227443
-3.965076
37. ETHYLBENZENE
ARALP
3.15
106.168
-3.617459
-4.262377
38. NAPHTHALENE
ARALP
3.37
128.174
-3.535653
-4.021388
39 BUTYL BENZYL PHTHALATE
COAR
3.3
312.369
-3 061635
-1.967854
See footnote to Table 16.
57
-------
-5. -
-5.5"
-6
*~
¦f
~ +
e. i.
LOGP
2.
6.5
LOG< 1/C>
-5.716+.6441*X
NUMBER OF DATA POINTS - 39
CORRELATION COEFFICIENT R - .6907511 R-SQUARED - .4771371
STANOARD DEVIATION OF REGRESSION - .8131157
PARAMETER TA8LE
PARAMETER
FITTED
UALUE
STANDARD
DEVIATION
T-VALUE
SIG L£U
0001
INTERCEPT
-5.716323
.3735511
-15 30266
SLOPE
.644082
.1188441
5.810701
.0001
ANALYSIS OF VARIANCE TABLE
SOURCE
SUM OF
SQUARES
22.32347
D.F.
1.
MEAN
SQUARE
F UAUJE
SIG. LEU.
REGRESSION
22.32347
33.76425
0001
RESIDUAL
24.46281
37.
.6611571
Fig. 7. Relationship of Potency to Log P: 35 organic compounds of 6 chemical
classes.
58
-------
-5. ¦-
-5.5"
~ + *
-6.
86
106.
280.
328.
MOLWT
+ LOG
-------
2 T
1.. .
0.
-1.
-2.
-3. > ¦
-4. ¦ ¦
-5. ¦ •
—6. <»
-7. ••
-8. --
0
—H-
100.
200.
300.
400.
556.
MOLWT
+ LOG< I/O
-6.68S+.01379*X
NUMBER OF DATA POINTS - 49
CORRELATION COEFFICIENT R » .6221696 R-SQUARED - .387095
STANDARD DEVIATION OF REGRESSION - 1.763827
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEVIATION
T-UALUE
SIC. LEU.
INTERCEPT
-6.684928
.8566522
-7 88355
0001
SLOPE
.01379484
.002531952
5.448303
.0001
ANALYSIS OF UARIANCE TABLE
SOURCE
SUM OF
SQUARES
D.F.
MEAN
SQUARE
F UALUE
SIG. LEU
REGRESSION
92.34944
1.
92.34944
29.68399
0001
RESIDUAL
146.221
47.
3.111886
Fig. 9. Relationship of Potency to Molecular Weight: 26 organic compounds.
60
-------
Because of the problems of variation in potency values and struc-
tural class diversity, any attempt to "explain" potency in terms of
structural features had to be limited to rather gross effects. Such an
approach was formulated in terms of the previously established general
relationship between potency and molecular weight. The question asked
was simply: "What structural features appear to supersede this general
relationship and give rise to potencies that are substantially lower or
higher than expected on the basis of molecular weight?"
Based on considerations discussed in previous sections of this
report, the approach was formulated in terms of three assumptions:
(1) The relationship of potency to molecular weight is largely an
expression of dependence on hydrophobicity, with the latter
factor being only partly related to molecular weight.
(2) Highly polar functional groups constitute a structural feature
that perturbs the "normal" hydrophobicity-molecular weight
relationship.
(3) Potency is reduced by the presence of highly polar functional
groups.
The validity of the first two assumptions is supported by the
results discussed above in examination of direct relationships between
Log P and molecular weight (Figs. 3 and 4). The third assumption
provided a logical basis for the formulation of structural parameters
that could then be used to test the validity of this assumption in terms
of parameter utility in regression analysis.
Two simple, polar, structural parameters (FI, FP) were introduced
into the analysis as new independent variables. These parameters were
formulated so as to represent extreme examples of low hydrophobicity
relative to the general molecular weight vs. Log P relationship
discussed above (Figs. 3 and 4). In the case of strongly ionizable
groups, FI was formulated to represent both the propensity for
ionization of the group and the number of such charged or ionizable
groups (NR2+, COO , SO3 , -N-) in the molecule. The only compound in
the data base that has a permanently charged nitrogen atom (=NR.2+) is
malachite green. Similarly, tolbutamide was unique with respect to the
acidic character of the N-H in the "phenyl-S02-NH-C0" fragment (N ).
Trypan blue has four SO3 groups, and several compounds are carboxylic
acids (picloram, nitriloacetate, 2,4,5-trichlorophenoxyacetic acid, and
thimerosal) with one or more ionizable COOH groups. All of these
compounds are unique in the data base with respect to acid strength or
the occurrence of a permanent charge.
61
-------
Each of the strongly ionizable groups was assigned a
number (fo ) corresponding to estimated pKfl or pK.^ values as follows:
Group fo
Basis of Assignment
=NR2
S03
+
4 (Benzenesulfonic acid pK.0 = 0.7)
a
3
N
3
N-H
COO
COO
COO
,+
2 (Phenoxyacetic acid pKa =3.1)
1 (Benzoic acid pKa = 4.2; Acetic acid pKa = 4.7)
0 (Picolinic acid pKfl = 5.4)
0 (Aniline pKfa =9.3)
The value of FI for each compound was calculated from FI = fy (N) where
N is the number of such ionizable groups in the molecule. For trypan
blue, fo =4 while fo = 3 for malachite green and tolbutamide. For
trichlorophenoxyacetic acid and thimerosal, fy = 2 while fo = 1 for
nitriloacetate. For picloram and for all other compounds in the data
base (since no others have strongly basic or acidic groups), fo = 0.
The second polar structural parameter (FP) was formulated to
represent five cases where there was a logical and quantifiable basis
for deviation from the general molecular weight-Log P relationship (Fig.
3) by a group of compounds that are not strongly ionizable. These five
compounds (formaldehyde, thalidomide, 5-chlorouracil, phosphamidon, and
cygon) appeared to constitute a distinct class of compounds whose
structures consist predominantly of very polar fragments as defined by
Hansch and Leo.9 In the case of formaldehyde, the polar CHO group is
essentially the entire molecule. The highly polar CO-NH-CO group is
unique to thalidomide and 5-chlorouracil. Phosphamidon and cygon are
the only organophosphates that contain polar N-CO groups in addition to
the polar phosphate or thiophosphate group. Together, these five
compounds appear in Fig. 3 (numbered points) as a class for which the
relationship of Log P to molecular weight is uniformly reduced by 2 Log
P units relative to that for the entire group. Thus, for these five
compounds, FP = 2.
Both the polarity factors (FI and FP) and molecular weight proved
to be significant parameters in multiple regression analysis of the
entire organic data base. For the relationship:
Potency => a (Mol. Wt.) + b (FI) + c (FP) + d
62
-------
the result was:
Log (1/c) = 0.0121 (Mol. Wt.) - 0.8024 (FI) - 1.058 (FP) - 5.8468
(± 0.0012) (± 0.0867) (± 0.2912)
R - 0.77; F = 48.553; n = 106
Together, these three parameters (Mol. Wt., FI, and FP) accounted for
nearly 60% (R2 = 0.59) of the variation in potency within the data
base. Potency values predicted by this correlation are shown in Table
15 (Column 6). A substantial, but unknown, portion of the remaining
("unexplained") variation is, of course, experimental, as exemplified by
the widely varing multiple potency values for endrin, chlordane,
methoxychlor, DDT, and malathion.
This variation is illustrated in Fig. 10 by letter labelling of the
points corresponding to the multiple Log (1/c) values for endrin (E),
chlordane (C), DDT (D), malathion (M), and methoxychlor (X). Compounds
with polarity factors (FI, FP) greater than zero are also labelled with
their row numbers from column 7 of Table 15. For purposes of
illustration, Fig. 11 is a modification of Fig. 10 in which the highly
polar compounds (numbered in Fig. 10) have been omitted. The resulting
correlation (heavy line in Fig. 11) for 95 data points is considerably
improved (R = 0.725) over the correlation for all 106 data points (Fig.
1). Furthermore, it is apparent that the potency increase with
increasing molecular weight is more dramatic when the highly polar
compounds are excluded.
The 3-parameter corelation (Mol. Wt., FI, FP), with its relatively
large negative coefficients for the FI and FP terms, supports the
validity of the assumptions that led to its formulation. Clearly,
potency is reduced by the presence of highly polar functional groups
(assumption No. 3), and such groups perturb the relationship of Log P to
molecular weight (assumption No. 2). It follows, therefore, that the
relationship between potency and molecular weight is, at least in part,
reflective of a dependence of potency on hydrophobicity (assumption No.
1). Although other, more specific, structural factors are undoubtedly
operative, these appear to be far more subtle than the hydrophobicity
effect. Such additional factors cannot be reliably defined due to the
variation in potency data and the structural diversity of the data set.
To assess the influence of including questionable "no effect"
potency data in the previous analyses, graphic analysis in terms of
molecular weight was repeated with the deletion of these values. As
expected, this altered the quantitative—but not the qualitative—nature
of the relationship (Fig. 12) relative to that seen in Fig. 1.
With regard to the inorganic data base, little in the way of
structure-activity analysis appeared to be practical. It is of interest
that the most toxic inorganic chemical among the group was hydrogen
sulfide. Cyanide was of similar, though somewhat lower, toxicity.
63
-------
-7.
-8.
1?
91
if 99 E
95
36
92
37
¦ I ' I « I « «»¦!¦«—•—»
0. 100. 200. 300. 400. 500 600 . 700 . 800 . 900.
MOLWT
Fig. 10. Variations in Potency Values for Individual Compounds. C:
Chlordane, E: Endrin, M: Malathion, X: Methoxychlor, D: DDT. Numbered
points are highly polar compounds (Table 15 row numbers). Graph is equivalent
to that of Fig. 1.
64
-------
-5 . ..
-6.
0. 100. 200. 300. 400. 900. 600. 700. 000. 900.
MOLWT
+ LOG( I/O .
-4.759+.006796*X (n = 106)
— -5.821+.01215*X (n = 95)
NUMBER OF DATA POINTS ¦ 95
CORRELATION COEFFICIENT R • .7247856
STANDARD DEVIATION OF REGRESSION * 1
R-SQUARED
176806
.5253142
PARAMETER TABLE
PARAMETER
FITTED
UALUE
STANDARD
DEVIATION
T-UALUE
SIG. LEU.
INTERCEPT
-5.821354
.3383513
-17.20506
0001
SLOPE
.01214961
.081197608
10.1449
.0001
ANALYSIS OF UARIANCE TABLE
SOURCE
SUM OF
SQUARES
D.F.
MEAN
SQUARE
F UALUE
SIG. LEU.
REGRESSION
142.5297
1.
142.5297
102.9191
.0601
RESIDUAL
128.7931
93.
1.384872
Fig. 11. Relationship of Potency to Molecular Weight: Entire organic data
base ( ; from Fig. 10) and effect of excluding 11 highly polar compounds
( )•
65
-------
-2
-3
-4.
-5.
-6.
-7.
-8.
0 100 200 . 300 . 400 . 900 . 600. 700 . 800 . 900.
MOLWT
+ logu'O
-4.483+.006173*X
NUMBER OF DATA POINTS ¦ 87
CORRELATION COEFFICIENT R ¦ .3626903 R-SGUARED « 1315442
STANDARD DEVIATION OF REGRESSION • 1.886073
PARAMETER TABLE
PARAMETER
FITTED
VALUE
STANDARD
DEVIATION
T-VALUE
SIG. LEV.
INTERCEPT
-4.482746
.5333617
-8.404702
.0001
SLOPE
.00617309
.001728406
3.588156
0006
ANALYSIS OF VARIANCE TABLE
SOURCE
SUM OF
SQUARES
O.F.
MEAN
SQUARE
45.79944
F VALUE
12.87487
SIG. LEU.
.001
REGRESSION
45.79944
1.
RESIDUAL
302.3682
85.
3.557273
Fig. 12. Relationship of Potency to Molecular Weight: Effect of excluding 19
"no effect" observations on 16 chemicals.
66
-------
Among the other salts, the most toxic metals were cadmium, antimony,
thallium, copper, lead, mercury, and zinc, approximately in that
order. Considering the ranges of reported minimal toxic concentrations,
however, it was difficult to distinguish between the toxicities of lead,
mercury, zinc, chromium, manganese (manganous), and nickel. Aluminum
and selenium appeared to be somewhat less toxic, and iron (ferrous) was
clearly the least toxic of the heavier metals.
In nearly all of the studies reported, concentrations of the metal
ion in solution were measured. Therefore, solubility presumably was not
a factor for relative reproductive toxicity in fish.
67
-------
CONCLUSIONS AND RECOMMENDATIONS
Even if problems incident to widely varying assay methods,
conditions, and species are ignored, the following facts impose rather
severe restrictions on the statistical inferences that can be drawn from
the present data base by any method of analysis: (1) variations in
observed potencies for a single chemical can extend over a range that is
more than half the range of potencies for the entire data base; (2)
quantitative data are heavily biased in favor of highly toxic organic
chemicals in that the data available for organic compounds of lesser
toxicity are largely of the "no effect" type, and hence fail to
establish lower limits of potency; (3) the number of unique structural
variations aproaches the number of individual compounds in the organic
data base to the extent that there are few definable common structural
denominators for relating specific effects on potency to individual
structural features.
Given these inherent limitations, the inferences that can be drawn
from the present data base are necessarily limited to rather gross
generalizations. One such generalization that appears to be justified
by the data is that potency is directly related to hydrophobic!ty. The
data suggest that this relationship will vary among chemical classes due
to other independent effects of specific structural features. For
example, high potency appears to be associated with polyhalogenated
bycyclic compounds such as mirex (I), halogenated arylalkyl and
alicyclic compounds such as methoxychlor (II) and lindane (III), and
organophosphates such as Diazinon (IV). Most of the compounds in these
classes are highly hydrophobic, however; consequently, it is difficult
to separate specific structural effects from the general hydrophobic
effects.
\
ci/
CI
/
\
(:1 CjHsO—P—OCjH,
OCH,
CI LU ^CH(CH ,)2
CH ,
I I I
IV
Indeed, considerably reduced potency appears to be characteristic of the
more polar organophosphates such as Cygon (V) and phosphamidon (VI).
0
OCH 3
W
1
C—CH2
—S—P=S
/
1
H—N
|
OCH 3
CH3
0 CI ch3 och3
W I I I
C—C=C—0—P=0
/ I
H2N OCH3
VI
69
-------
Similarly, a possible specific potency-enhancing effect of
polyhalogenation generally (CI) cannot be distinguished from the high
hydrophobic contribution of such halogen atoms.
Apart from the general hydrophobicity factor, it is impossible to
generalize regarding structural features that are associated with low
potency or the virtual absence of fish reproductive toxicity, due
partly to the fact that the data available for low potency compounds are
largely of the "no effect" type; hence, the actual potencies of such
compounds, although possibly quite low, are not defined by the data.
Similarly, investigation of the possible importance of a number of
specific structural features (aromatic substituent effects, resonance
interactions, etc.) was not warranted due to an insufficient number of
examples for comparison and the quantitative variability of potency data
relative to the magnitude of such effects. Problems such as these
mitigated against any analysis of the data in terms of even qualitative
potency-ranking by chemical classes and dictated a more general
approach.
From the standpoint of predictive utility and preliminary hazard
assessment relative to potentially deleterious effects on fish
reproduction, the following generalizations appear to be justified on
the basis of the present data base:
1) A high degree of hazard should be suspected for any compound
with a high measured or calculated Log P value (perhaps greater
than 2.5; see point 5 below).
2) High molecular weight (greater than 200; see point 5 below) is
a rough indication of high hazard potential unless the compound
is predominantly made up of highly polar structural fragments.
3) Exceptionally polar or strongly ionizable functional groups
reduce the hazard potential of an otherwise potentially toxic
organic compound.
4) Highly polar structural fragments and strongly ionizable groups
may include the following:
0
II
— S—OH;
II
0
0
//
OH
OHO
II I II
-S—N—C—;
II
0
V ©
/ \
The following are also included if they constitute a high
percentage ( 60% by mol. wt.) of the entire structure:
0
II
-c—;
OHO OR
II I II I
-C—N—C; — X— P—X (X = S or 0)
I
OR
70
-------
(5) The question of what potency level constitutes a high hazard to
fish reproduction is beyond the scope of this report. For the
present data base, the general relationship between Log P and
molecular weight is such that a Log P value of 2.5 corresponds
roughly to a molecular weight of 200, and the highly toxic
materials generally had Log P values greater than 2.5.
In the case of inorganic chemicals, some ranking of toxicity on the
basis of the metal ion was possible. In this case also, however, the
problem of potency data variations was evident and there was
considerable overlap in the potency ranges associated with the various
metals.
Although the present data base yields useful implications of only a
very limited nature, it provides a basis and direction for future
research. Even the limited conclusions drawn from this study are
tenuous and should be validated for individual chemical classes; for
most such classes this will require data on a far greater number of
representative chemicals than the numbers given in Table 2. An
additional advantage of any such studies is that they should permit more
detailed analysis in terms of specific and more subtle structural
effects.
If the data are adequate and appropriate, methods of structure-
activity analysis can obviously be valuable analytical tools for
defining predictive relationships of use in assessing the potential
hazards of chemicals in terms of fish reproductive toxicity. Studies
should be designed and conducted with such a purpose in mind. All such
studies should be standardized so as to limit experimental variables as
much as practical. Such standardization should limit basic test types,
establish well-defined methodologies and conditions, and limit test
species to a selected few. Studies should be designed to yield
quantitative data in terms of minimal toxic concentrations or
concentrations producing effects in 50% of the fish. Data on no-effect
concentration are not adequate. Test end points should be limited and
clearly defined (effect categories).
Each study should focus on a given chemical class, and structural
variations should be as extensive as possible, but limited to variations
on a central theme or parent structure. Only in this manner can the
effects of structural features be adequately defined by the results.
The present data base suggests several areas that could be expanded by
such studies to yield individual chemical class data sets that could be
made adequate for detailed analysis. The chemical classification scheme
outlined in this report provides a possible basis for the design of such
studies. The detailed discussion of the data base points to the
pitfalls that should be avoided in any such future studies and to
specific areas of data deficiency that should be focused upon initially.
71
-------
REFERENCES
1. See, for example: Physico-chemical Aspects of Drug Actions (Third
International Pharmacological Meeting), Vol. 7, E. J. Ariens (ed.)
Pergamon Press, New York, 1968.
2. P. C. Jurs and T. L. Isenhour. Chemical Applications of Pattern
Recognition. Wiley-Interscience, New York, 1975.
3. Y. C. Martin. Quantitative Drug Design. M. Dekker, New York, 1978.
4. (a) C. Hansch and W. J. Dunn. Linear relationships between
lipophilic character and biological activity of drugs. J. Pharm.
Sci. 61, 1-19 (1972); (b) C. Hansch and J. M. Clayton. Lipophilic
character and biologic activity of drugs. II. The parabolic
case. J. Pharm. Sci. 72, 1-21 (1973).
5. G. D. Veith. In: Scoring Chemicals for Health and Ecological
Effects Testing (TSCA-ITC Workshop). Enviro Control, Inc.,
Rockville, Md., 1979, pp. A-29 to A-37.
6. See, for example: S. H. Yalkowsky, T. G. Slunick, and G. L.Flynn.
Effects of alkyl chain length on biological activity: Alkyl jr-
aminobenzoate-induced narcosis in goldfish. J. Pharm. Sci. 63, 691-
695 (1974).
7. D. A. Benoit and G. W. Holcombe, personal commun.; In J. M. McKim.
J. Fish Res. Bd. Can. _34_, 1148-1154 (1977).
8. K. J. Macek and B. H. Sleight, III. Aquatic Toxicology and Hazard
Evaluation, ASTM STP634, F. L. Meyer and J. R. Hamelink, eds., ASTM
(1977).
9. C. Hansch and A. Leo. Substltuent Constants for Correlation
Analysis in Chemistry and Biology, Chapter 4. John Wiley, New York,
1979.
73
-------
Appendix A
PRIMARY DATABASE TABLES
-------
Directory of Appendix Tables
Table Title
A-l Organics: Test Data
A-2 Inorganics: Test Data
A-3 Organics: Bibliographic,
Water Quality Data
A-4 Inorganics: Bibliographic,
Water Quality Data
A-5 Organics: Chemical Structures
A-6 Mixtures: Test Data
A-7 Mixtures: Bibliographic,
Water Quality Data
A-8 Organic Chemical Nomenclature
A-9 Data Base References
A-10 Additional References
Computer
File Name
EPAFISHORGDAT
EPAFISHINORGDAT
EPAFISHORGREF
EPAFISHINORGREF
EPAFISHORGCHEM
EPAFISHMIXDAT
EPAFISHMIXREF
EPAFISHORGNOM
EPAFISRADDREF
Page
A-2
A-14
*
A-25
A-2 7
*
A-29
A-31
A-36
*Tables A-3, A-4, and A-7 are not included in this report. The
reference citations that they contain are included in Table A-9; water
quality data were made available to EPA in the form of magnetic data
tape, as were all other data contained in Tables A-l through A-8 and A-
10. Table A-9 consists of three sections: organic, inorganic, and
mixtures. Row numbers in each of these sections correspond to row
numbers in the corresponding data tables (A-l, A-2, A-6).
Abbreviations and Symbols: MG/L = milligrams per liter; UG/L =
micrograms per liter; NG/ML = nanograms per milliliter; NM/L ¦ nanomoles
per liter; PPM = parts per million; PPB = parts per billion; TEMP/C =
temperature, degrees centigrade; E/F = eggs per female; E/S = eggs per
spawn; LS = larval (fry) survival; ES - egg survival; H = % egg hatch;
S/F = spawns per female; TM = morphological teratogenesis; G - growth;
CLASS: see text, Table 2; CONC RANGE = range of concentrations tested
and CONC = concentration at which indicated effects were observed (units
for both concentrations are specified under UNITS); NO EFF lists effect
categories that were included in the testing, but for which no effects
were observed; NE: an asterisk indicates no effects were observed at
the indicated (CONC, highest tested) concentration. All values in the
CONC column were converted to other concentration units as specified in
columns UG/L (micrograms per liter) and NM/L (nanomoles per liter).
A-l
-------
Table A-L. Organic Chemicals: Test Data
0
ROUNAME
1
CAS NO.
t NITRILOACETATE. SOOIUM
10042-84-9
2. 4-eR0)K)ntlT/L PHEU7L ETHER
101-55-3
3. 2,4-OINETHYLPHENOL
105-67-9
4. 1,4-OICHLOROBENZENE
106-46-7
5 1,2-0ICHL0R0ETHAHE
107-06-2
6. METHYLMERCURIC CHLORIDE
115-09-3
7. METHYLHERCURIC CHLORIDE
113-09-3
8 AFLATOXIN B1
1162-65-8
9. HEXACHLOROBENZENE
118-74-1
10 2,4,6-TRINITROTOLUENE
118-96-7
11 1,2 < 4-TRI CH.0R06ENZENE
120-82-1
12. Ii2'4-TRICHLOROBENZENE
120-82-1
13. 2,4-OINITROTOLUENE
121-14-2
14. l"ttLATHION
121-75-5
13. MALATHION
121-73-3
16. MALATHION
121-755-5
17. RDX; CYCLOTRIMETHYLEHE TRIN-
121-82-4
18. RDX; CYCLOTRIMETHYUENE TRIH-
121-82-4
19 RDX; CYCLOTRIMETHYLEHE TRIH-
121-82-4
20 FEHITROTHION
122-14-3
21. TETRAQLOROCT! r.lTfC
127-18-4
22 PHOSPHAMIOON
1317-21-6
23. CAPTAN
133-06-2
24. NIFURPIRIHOL
13411-16-0
25 KEPONE
143-50-0
26. KEPONE
143-30-®
27. ENDRIN
153-18-4
28. ENORIN
153-18-4
29 ENDRIN
153-18-4
30 EHDRIH
153-13-4
31. EHDRIH
133-18-4
32. EHDRIH
133-18-4
33. ENDRIN
153-18-4
34. CARBOFURAN
1563-38-8
35. TRIFLURALIN
1582-09-8
36 5-CHL0R0URAC1L
1820-81-1
37 ATRAZINE
1912-24-9
38 ATRAZINE
1912-24-9
39 ATRAZIHE
1912-24-9
40. MI REX
2383-85-3
41 DIAZINON
333-41-^
42. DIAZINON
333-41-3
43. DIAZINON
333-41-3
44. DIAZINON
333-41-3
45. 3-TRIFLU0R0METHYL-4-N1TR0PH-
393-11-3
46 F0RMALDEHYDE
30-00-0
47 DOT
30-29-3
48. DOT
30-29-3
49. DOT
30-29-3
50 THALIDOMIDE
30-33-1
51. 2,4-OIHlTROPHENOL
31-28-3
52, THIMEROSALCMERTHIOLATE)
34-64-0
53 1,3-01 CHLOROeCHZENE
341-73-1
54 1,3-01CHLOROPROPENE
342-73-6
53 NITROGLYCERINE
33-63-0
56 NITROGLYCERINE
35-63-0
57 NITROGLYCERINE
35-63-0
0
ROWNAME
1
CAS NO.
58. CHLORAMIHE
55-86-7
59. GtCRAfllNC
53-86-7
60. CARBON TETRACHLORIDE
36-23-3
61. MALACHITE GREEN
369-64-2
62. CHLOROANE
37-74-9
63. CH.OROANE
37-74-9
64. CHLORDANE
37-74-9
65. CH.ORDANE
57-74-9
66. CHLOROANE
37-74-9
67. LINDANE
38-89-9
68. LINDANE
38-89-9
69. CYGCN
60-31-5
70 DIELORIN
60-37-1
71. 2,3-DINITROTOLUEHE
602-01-7
72. PHENYLMERCURIC ACETATE
62-38-4
73. SEUIN
63-23-2
74. SEVIN< CARBARYL )
63-25-2
73. 1,2,3,4-TETRACHLOROBENZENE
634-66-2
76. TOL BUT AM I DEC HA)
64-77-7
77. HEXACHLOROETHANE
67-7Z-1
70. lEXACLOROTTIIAfC
67-72-1
79 METHOXYCHLOR
72-43-3
80. METHOXYCHLOR
72-43-3
81. METHOXYCHLOR
72-43-3
82. TRYPAN BLUE
72-37-1
83. 1,1-OICHLOROETHYLENE
73-35-4
84. PENTACHLOROETHANE
76-01-7
83. NETHVLMERCURY
76-44-8
86 HEPTACHLOR
76-44-6
87. HEPTACHLOR
76-44-8
88. 1.2-0ICHLOROPROPANE
78-87-3
89. 1/1/2-TRICHLOROETHANE
79-09-3
90 1 -1 /2/2-TETRACtt.OROETHANE
79-34-3
91 BUTYL BENZYL PHTHALATE
85-68-7
92 AZINPHOS-METHYL< GlfTHlON >
86-S&-0
93. P6NTACHL0R0PHEN0L
87-86-5
94. PENTACHLOROPHENOL
87-86-3
93. 2,4,6-TRICHLOROPHENOL
88-06-2
96 DINOSEB
88-83-7
97. ETHYLBEHZEHE
89-96-3
98. NAPHTHALENE
91-20-3
99. 2,4,5-TRICHLOROPHENOXYACETJ-
93-76-3
100. 1>2-DICHL0RO6ENZENE
95-30-1
101. 2—CHLOROPHENOL
95-37-8
102. NITROBENZENE
90-93-3
103. PICLORAH
104. 09-TETRAHYDROCANNABINOL
103. 2-ACETYL/1MIN0FLU0RENE
106. BIS< 2-CHLOROETHYL JETHER
A-2
-------
Table A-1 (Continued)
1
2
3
4
5
6
CAS NO.
CLASS
PURITY
METHOD
TEMP'C
TEST TYPE
1
10042
-84-9
MIS
99*
FLOW
25
CHRONIC-FRY
£.
101-55-3
ARX
FLOW
EARLY LIFE STAGE
3
105-67-9
OHAR
FLOW
EARLY LIFE STAGE
4
106-46-7
ARX
FLOW
25
EARLY LIFE STAGE
5
107-06-2
XAL
FLOW
25
EARLY LIFE STAGE
7
8
9
10
11
12
13
SPECIES
CONC RANGE
NOM'MEAS
UNITS
CONC
E'F
LS
1
FATHEAD MINNOW
2.1-53.9
MEAS
MGA.
53.9
2
FATHEAD MINNOW
023-.
17
MEAS
MG/L
.089
.089
3
FATHEAD MINNOU
.7-15
MEAS
MG/L
7.4
7.4
4
FATHEAD MINNOW
560-1040
MEAS
UG/L
1046.
1040.
5
FATHEAD MINNOU
14400-
29000
MEAS
UG/L
29000.
14
15
16
17
18
19
20
21
22
ES
H
S/F
E'S
TM
NO EFF
UG^L
NE
NTfL
1
ExF>LS
;H;S-
53900.
*
209652.6
2
LSjH)G
89.
357
2575
3
15.
7400.
60572.33
4
1040.
7074.253
5
29000.
*
293024.
1
CAS NO.
2
CLASS
3
PURITY
4
METHOD
5
TEMP^C
6
TEST TYPE
6
115-09-3
MC
FLOW
9-15
CHRONIC-AOULT
1
115-69-3
nc
' ovoi
STATIC
18-20
ACUTE EGG TOX
8
1162-65-8
COAR
i e
STATIC
22.1
ACUTE EGG TOX
9
118-74-1
ARX
FLOW
25
EARLY LIFE STAGE
10
118-96-7
ARN02
99*
FLOW
25
EARLY LIFE STAGE
7
SPECIES
3
2>NC RANGE
9
NOM/HEAS
10
UNITS
11
CONC
12
E/F
13
L8
6
BROOK TROUT
.03-2.94
MEAS
UG/1_<-
2 94
2.94
7
KILLIFISH
.01-04
NOM
WL
.03
8
MEDAKA
.05-1
MEAS
MCL
.05
.85
9
FATHEAD MINNOW
TO 4 .76
MEAS
UCL
4.76
10
FATHEAD MINNOW
es-i.e
MEAS
MG^L
.25
.25
14
ES
15
H
16
S/F
17
E'S
18
TM
19
NO EFF
20
UG/L
21
NE
22
NM/L
6
2.94
2.94
11.70932
7
03
.61
30.
119.4829
8
. 1
50.
160.1112
9
LS/-G
4.76
*
16.71301
10
1.
250.
1100.638
A-3
-------
Table A-1 (Continued)
11
1
CAS NO.
2
CLASS
aIrx
3
PURITY
4
METHOD
5
TEMP/C
6
T
E
EST TYPE
120-82-1
FLOW
ARLY LIFE STAGE
12
12C-82-1
ARX
FLOW
25
EARLY LIFE STAGE
13
121-14-2
ARN02
FLOW
25
EARLY LIFE STAGE
14
121-73-5
POS
POS"
95*
FLOW
23-26
CHRONIC-FRY
15
121-75-5
STATIC
26
ACUTE EGG TOX
7
SPECIES
3
:ONC RANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E/F
13
LS
11
FATHEAD MINNOW
.04-95
MEAS
MG/L
09
.09
12
FATHEAD MINNOW
~99-1001
MEAS
UG/L
1001.
1001.
13
FATHEAD MINNOW
383-7.2
MEAS
MG/L
2.8
2.8
14
FLAGFISH
5.8-31.5
MEAS
UG/L
31.5
15
CARP
.01-5
NOM
PPM
.25
11
14
ES
15
H
16
S/F
17
E/S
18
TM
19
NO EFF
20
UG/L
90.
21
NE
22
NM/L
G;H
495.9743
12
1001.
5516.337
13
7.2
2800.
15372 71
14
E/F;LS
31.5
*
95.35053
15
.25
250.
756.7502
1
2
3
4
5
6
CAS NO.
CLASS
PURITY
METHOD
TEMP/C
TEST TYPE
16
121-755-5
POS
95%
FLOW
CHRONIC-AOULT
17
121-82-4
MIS
FLOW
25
CHRONIC-FRY
18
121-82-4
MIS
FLOW
25
EARLY LIFE STAGE
19
121-82-4
MIS
FLOW
25
EARLY LIFE STAGE
20
122-14-5
POS
STATIC
26
ACUTE EGG TOX
7
3
9
10
11
12
13
SPECIES
DONC RANGE
NOM/MEAS
UNITS
CONC
E/F
LS
16
SHEEPSHEAD MIN-
~-86
MEAS
UG/L
9.
9.
17
FATHEAD MINNOW
29-4 9
MEAS
MG/L
4.9
18
CATFISH
.11-2.3
MEAS
MG/L
1.2
1.2
19
FATHEAD MINNOW
.26-5.
8
MEAS
MG/L
5.8
20
CARP
.02-1
NOM
PPM
.25
14
15
16
17
18
19
20
21
22
ES
H
S/F
E/S
TM
NO EFF
UG/L
NE
NM/L
16
E/F; H
9.
27.24301
17
4.9
LS/H/E/F
4900.
22059.25
18
H
1200.
5402.266
19
LS;H
5800.
*
26110.95
20
.25
250.
901.
7328
A-4
-------
Table A-l (Contimu'iO
1
CAS NO.
2
CLASS
3
PUR11
rv
4
METHOO
5
TEMP/C
6
TEST TYPE
21
127-18-4
XAL
FLOW
25
EARLY LIFE STAGE
22
1317216
POS
' 88~4
STATIC
26
ACUTE EGG TOX
23
133-06-2
mis
FLOW
24 9
CHRONIC-FRY
24
13411-16-0
ARN02
STATIC
23
ACUTE EGG TOX
25
143-58-0
XBI
FLOW
30
ADULT CHRONIC
7
SPECIES
-IOW
3
IflNC RANGE
L400-2800
9
NOM/MEAS
10
UNITS
11
CONC
12
E'F
13
LS
21
FATHEAO MIN
MEAS
UG/L
2800.
2880.
22
CARP
50-135
NOM
PPM
80.
23
FATHEAD MINNOW
3.3-63 5
MEAS
UG/L
3.3
3.3
39.5
24
MUMMICHOG
1 0-10
HOW
PPM
I.
25
SHEEPSHEAO MIN-
.05-1.9
MEAS
UC^L
1.9
21
14
ES
15
H
16
S'F
17
E/-S
16
TM
19
NO EFF
20
UG/L
21
NE
22
NM/L
2800.
16882.73
22
80.
80000.
254997.1
23
63.5
39.5
3.3
10.97775
24
1.
I.
H
1000.
4061.277
25
1.9
1.9
3.482443
26
1
CAS NO.
143-50-0
2
CLASS
XBI
3
PURITY
4
Ml
R
¦THOD
5
TEMP/C
6
TEST TYPE
_0W
30
ACUTE EGG TOX
27
153-18-4
XCI
06.15
i
FLOW
23-26
CHRONIC-FRY
28
153-18-4
XBI
FLOW
30
CHRONIC-EGGS
29
153-18-4
XBI
STATIC
20
ACUTE EGG TOX
30
153-18-4
XBI
STATIC
20
ACUTE EGG TOX
26
7
SPEC I
SHEEP
ES
3
JONC R
.05-33
ANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E/F
13
LS
StCAO MIN-
MEAS
UG/L
.72
27
FLAGFISH
.051-.3
MEAS
UCL
.3
.3
28
SHEEPSHEAO MIN-
025-31
MEAS
UG/L
.31
.31
29
CARP
NOM
MG/L
19.9
30
SNAKEHEAO FISH
NOM
MG/L
96.
26
14
ES
.72
IS
H
16
S/F
17
E/S
18
TM
19
NO EFF
20
UG^L
21
NE
22
NM/L
.72
1.319663
27
LS
.3
.7833839
28
31
Eyp
.31
.8094967
29
19.9
19900.
51964.47
30
96.
96000.
250682.8
A-5
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
3
PURITY
4
METHOD
5
TEMP/C
30
6
TEST TYPE
EARLY LIFE STAGE
31
153-18-4
X8I
FLOW
32
153-18-4
/wl
00
FLOW
25
CHRONIC-FRY
33
153-18-4
XBI
STATIC
20
ACUTE EGG TOX
34
1563-38-8
CON
NAR ~
99*/.
FLOW
CHRONIC-ADULT
35
1582-09-8
TECH 99>.
FLOW
CHRONIC-EGGS
7
SPECIES
3
XNC RANGE
9
NOH/MEAS
MEAS
10
UNITS
UG/L
11
CONC
46
12
E/F
13
LS
.46
31
SHEEPSHEAO M IN-
.21-1.0
32
FAT HEAD MINNOW
14-25
MEAS
PPB
.14
14
33
CARP
NOM
MG/L
19.9
34
SHEEPSHEAO MIN-
5-190
MEAS
UG/L
23.
23.
35
SHEEPSHEAO MIN-
1.3-17.7
MEAS
UG/L
1.3
1.3
4.8
31
14
ES
15
H___
16
S^F
17
E/S
18
TM
19
NO EFF
20
UG/L
21
NE
22
NM/L
LS
.46
1.201189
32
.14
.3655792
33
19.9
19900.
51964.47
34
E/F
23.
103.9501
35
4.8
1.3
3.877183
1
CAS NO.
2
CLASS
3
PURITY
4
METHOD
5
TEMP/C
6
TEST TYPE
36
1820-81-1
UCON
STATIC
25
EARLY LIFE STAGE
sjl
1912-24-3
UAfs
34%
94^'
FLOW
9-15
CHRONIC-AOULT
38
1912-24-9
NAR
FLOW
CHRONIC-AOULT
39
1912-24-9
NAR
94V.
FLOW
25
LIFE-CYCLE CHRONIC
40
2385-83-5
XBI
95y.
STATIC
22
ACUTE EGG TOX
7
SPECIES
3
2)NC RANGE
9
NOH/MEAS
NOM
10
UNITS
11
CONC
12
E/F
13
1.
36
SPOTTED SEATRO-
.01-100
PPM
1.
37
BROOK 'ROUT
.065-72
MEAS
MG/L
72
38
BLUEGIIL
.008-.095
MEAS
MG/L
.095
39
FATHEAD MINNOW
.015-213
MEAS
MG/L
213
40
MULLET
.01-10
NOM
UG/L
.01
36
14
ES
1.
IS
H
16
S/F
17
E/S
18
£L-»m
19
NO EFF
20
UG/L
21
NE
22
NM/L
029
1000.
6824
37
E/F;H;S/F
720.
*
3338.016
38
E/FjE/SjH;-
95.
*
440 4326
39
213
*
987.4963
40
.01
.01
.01832865
A-6
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
3
PURITY
92.5*
4
METHOD
PLOW
5
TEMP/C
6
TEST TYPE
41
333-41-5
POS
25
CHRONIC-FRY
42
333-41-5
ros
32.55i
FLOW
9-15
CHRONIC-AOULT
43
333-41-5
POS
FLOW
CHRONIC-AOULT
44
333-41-5
POS
STATIC
26
ACUTE EGG TOX
45
393-11-3
OHAR
>96*
STATIC
12
ACUTE EGG TOX
41
7
SPECIES
9
CONC RANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E^F
13
LS
FATHEAD MINNOW
3.2-60.3
MEAS
UG/L
6.9
6.9
13.5
42
BROOK TROUT
.55-9.6
MEAS
VGA.
9.6
9.6
43
SHEEPSHEAO MIN-
.63-10
MEAS
UGA.
.63
63
44
CARP
.01-1.5
NOM
PPM
.01
45
RAINBOW TROUT
MEAS
MCL
1.2
1.5
41
14
ES
15
H
16
S/F
17
E/S
18
TM
19
NO EFF
28
UCL
21
NE
22
NM/L
6.9
6.9
28.
3.2
6.9
24.17719
42
9.6
9.6
LS;H
9.6
33 63783
43
LSjH
.63
2.207482
44
.01
-
10.
35.0394
45
1.2
1200.
5793.827
46
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMP/-C
6
TEST TYPE
50-0O-0
MIS
40*
STATIC
22.2
ACUTE EGG TOX
47
50-23-3
:{ALAR
W.&s>T-
FLOW
ADULT CHRONIC
48
50-29-3
XALAR
FLOW
AOULT CHRONIC
49
50-29-3
XALAR
?7yjp,p'
FLOW
24-25.5
CHRONIC-ADULT
50
50-35-1
UCON
STATIC
ACUTE EGG TOX
46
7
LARGEMOUTH BASS
8
CONC RANGE
500-1500
9
NOM/MEAS
10
UNITS
11
CONC
12
E/F
13
LS
NOM
PPM
1500.
47
CUTTHROAT TROUT
.01-3
NOM
MG/L
3.
48
WINTER FLOUNDER
2
PP8
2.
2.
49
FATHEAO MINNOW
.35-1.53
MEAS
UCL
1.53
1.53
50
MARINE FISH
.0001
NOM
MOLAR
.0001
46
14
ES
15
H
16
Sx-F
17
E/'S
18
TM
19
NO EFF
20
UCL
21
NE
22
NM/L
1500.
1.5X106
4.995504X1C
47
3.
3000.
8462.361
48
20.
E8
2.
5.641574
49
1.53
1.53
4.315804
50
.0001
25823.
99996.51
A-7
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMP/C
6
TEST TYPE
51
51-28-5
OHAR
FLOW
EARLY LIFE STAGE
52
54-64-0
MC
laey.
STATIC
22.2
ACUTE EGG TOX
53
541-73-1
ARX
FLOW
25
EARLY LIFE STAGE
54
542-75-6
XAL
HIS
FLOW
EARLY LIFE STAGE
55
55-63-0
FLOW
25
CHRONIC-FRY
51
7
SPECIES
___
HOW
3
XlHC IB
03-.:
WNGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E'F
13
LS
FATHEAD HIH
¦9
MEAS
MG/L
.39
52
LARGEMOUTH BASS
300-1000
NOM
PPM
1000
53
FATHEAD MINNOW
1000-2267
MEAS
UG/L
2267.
54
FATHEAD MINNOW
.032-.33
MEAS
MG/L
.088
.088
55
FATHEAD MINNOW
.11-1.75
MOM
MG/L
.11
11
.11
14
ES
15
H
16
S/F
17
E/-S
18
TM
19
NO EFF
20
UG/L
21
HE
22
NM/L
51
LS> Hi G
390.
*
2116.253
52
10M.
1.X106
2.470252XIC
53
2267.
*
15420 51
54
G ,H
88.
792.9428
55
.43
.11
.11
110.
484.3745
1
2
3
4
5
6
CAS NO.
CLASS
PURITY
METHOO
TEMP/C
TEST TYPE
56
55-63-0
MIS
FLOW
25
EARLY LIFE STAGE
57
55-63
>0
MIS
FLOW
25
EARLY LIFE STAGE
58
55-86
-7
MIS
STATIC
25
EARLY LIFE STAGE
59
55-86
-7
MIS
FLOW
EARLY LIFE STAGE
60
56-23-5
XAL
FLOW
EARLY LIFE STAGE
7
3
9
10
11
12
13
SPECIES
lONC RANGE
NOM/MEAS
UNITS
CONC
E/F
LS
56
CHANNEL CATFISH
.08-1.
25
NOM
MG/L
.15
.15
57
FATHEAD MINNOW
.12-1.
87
NOM
MG/L
12
.12
58
SPOTTED SEATRO-
01-100
NOM
PPM
.12
.12
59
COHO
SALMON
5-47
MEAS
UG/L
47.
47.
60
FATHEAO MINNOM
1.3-3.
4
MEAS
MG/L
3.4
3.4
14
15
16
17
18
19
20
21
22
ES
H
S/F
E/S
TM
NO EFF
UG/L
HE
NM/L
56
H
150.
660.
5107
57
.47
120.
528.
4086
58
. 12
120.
626.
1577
59
47.
206.
4391
60
H;G
3400.
22101 03
A-8
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
NAR
3
PURITY
4
METHOD
5
TEMP'C
6
TEST TYPE
61
569-64-2
STATIC
ACUTE EGG TOX
62
57-74-9
TECH
'tech
FLOW
9-15
CHRONIC-ADULT
63
57-74-9
XBI
FLOW
24.7
CHRONIC-AOULT
64
57-74-9
X8I
TECH
FLOW
25
CHRONIC-FRY
65
57-74-9
XBI
TECHNIC-
FLOW
CHRONIC-EGGS
61
7
SPECIES
___
3ASS
3
:ONC RANGE
2-10
9
NOM/MEAS
10
UNITS
11
CONC
12
E/F
13
LS
LARGEMOUTH
NOM
PPM
2.
2
62
BROOK TROUT
.32-5.8
MEAS
UG/L
.32
2.21
63
BLUEGILL
.26-5.17
MEAS
UG/L
1.22
1.22
64
FATHEAD MINNOW
36-«.03
MEAS
UG/L
2.78
2.78
65
SHEEPSHEAO MIN-
.5-2.8
MEAS
UG/L
.8
1.7
.8
61
14
ES
15
H
16
S^F
17
E/S
18
TM
19
NO EFF
20
UG/L
21
NE
22
NH/L
8.
5187.031
62
.32
.32
.780842
63
1.22
1.22
1.22
2.97696
64
2.78
2 78
EsFiLSiSf
2.78
6.783565
65
.8
G
.8
1.952105
1
CAS NO.
2
CLASS
3
PURITY
4
METHOD
5
TEMP/C
6
TEST TYPE
66
57-74-9
XBI
99.9
FLOW
30
EARLY LIFE STAGE
67
58-89-9
tyfiL
\2Sfy.
FLOW
9-15
CHRONIC-AOULT
68
58-89-9
XAL
100
FLOW
25
CHRONIC-ADULT
69
60-51-5
POS
99*
STATIC
ACUTE EGG TOX
70
60-57-1
XBI
ANAL. G-
FLOW
AOJLT CHRONIC
7
SPECIES
8
CONC RANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E/F
13
LS
66
SHEEPSHEAO I1IN-
1.3-36
MEAS
UG/L
17.
17.
67
BROOK
TROUT
1.1-16.6
MEAS
UG^L
16.6
68
FATHEAD MINNOW
1.4-23.4
MEAS
UG/L
23.4
69
ZEBRAFISH
MEAS
MG/L
259.
70
WINTER FLOUNOER
2
PPB
2.
14
ES
15
H
16
S/F
17
E/S
18
TM
19
NO EFF
20
UG/L
21
NE
22
NM/L
66
17.
41.48223
67
16.6
E/F
16.6
57.07292
68
E/F;E/S>H>-
23.4
*
80.45218
69
259.
259000.
1.129692X11
70
2.
ES;TM
2.
5.250198
A-9
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMFVC
6
TEST T<
tPE
-IFE
71
602-01-7
ARN02
FLOW
EARLY
STAGE
72
62-30-4
KC
~ 80>f
STATIC
27
ACUTE EGG TOX
73
63-25-2
CON
FLOW
25
CHRONIC-FRY
74
63-25-2
CON
ARX
STATIC
26
ACUTE EGG TOX
75
634-66-2
FLOW
25
EARLY LIFE STAGE
71
7
SPECIES
9
ms
.2-1
WNGE
9
NOM'MEAS
10
UNITS
11
CONC
12
E/F
13
LS
.27
FATHEAD MINNOW
MEPS
MCL
.27
72
ZEBRAFISH
10-50
NOM
NG^ML
50.
73
FATHEAD MINNOW
.008-681
MEAS
MG/L
.681
.681
.681
74
CARP
.01-2.3
NOM
PPM
.73
75
FATHEAO MINNOW
245-412
MEAS
IK^L
412.
412.
14
ES
15
H
16
SsF
17
E/S
18
TM
19
NO EFF
20
UG/L
21
NE
22
HM^L
71
H
270.
1482.368
72
50.
50.
148 4816
73
.206
.681
681.
3384.221
74
.75
750.
3727.116
75
412.
1908.202
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMP/C
6
TEST TYPE
76
64-77-7
MIS
STATIC
ACUTE EGG TOX
77
67-72-1
>JAL
FLOW
EARLY LIFE STAGE
78
67-72-1
XAL
FLOW
25
EARLY LIFE STAGE
79
72-43-5
XALAR
88*
FLOW
CHRONIC-ADULT
80
72-43-5
XALAR
FLOW
CHRONIC-AOULT
7
SPECIES
8
CONC RANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E'F
13
LS
76
MEDAKA
.25-1
NOM
x
.25
77
FATHEAD MINNOW
.17-.7
MEAS
MCL
.7
.7
78
FATHEAD MINNOW
1400-4000
MEAS
UG/L
2070.
79
SHEEPSHEAO MIN-
3-48
MEAS
UG^L
23.
48
80
FATHEAO MINNOW
.125-2
NOM
UCL
.125
76
14
ES
IS
H
16
S^F
17
E^S
18
TM
.25
19
NO EFF
20
UGA.
2.5X106
21
NE
22
NH/L
9.246998XU
77
700.
2956 531
76
79
80
23.
125
L8
2070.
23.
.125
8742.883
66.53803
.3616197
A-10
-------
Table A-I fCiml iimiv] \
1
CAS NO.
2
CLASS
3
PURITY
4
METHOG
5
TEMP^C
6
TEST r
YPE
EGG*
81
72-43-5
XALAR
88*
STATIC
22
ACUTE
TOX
82
72-57-1
MIC
CP PI
JRI-
STATIC
ACUTE EGG TOX
83
75-35-4
XAL
FLOW
EARLY LIFE STAGE
84
76-01-7
XAL
MC
FLOW
25
EARLY LIFE STAGE
85
76-44-8
STATIC
21
ACUTE EGG TOX
81
7
SPECIES
9
X)HC R
01-1C
ANGE
9
HOM^MEAS
10
UNITS
11
CONC
12
EsF
13
LS
MULLET
MOM
UG/L
01
82
MEOAKA
.025-2.5
NOTt
%
1.25
83
FATHEAD MINNOW
76-2.8
MEAS
MG/L
2 9
84
FATHEAD MINNOW
*00-4100
MEAS
UCL
4100.
4100.
85
MEDAKA
40-80
MOM
PPB
40.
14
ES
15
H
16
S'F
17
E/S
18
TM
19
NO EFF
20
UG/L
21
NE
22
NM^L
81
01
¦ 01
.02892958
82
1.25
1 .25X107'
1.431992X18
83
LS/H/G
2800.
«
28880.27
84
4100.
20265.43
85
60.
40
40.
173.4154
1
2
3
4
5
6
CAS NO.
CLASS
PURITY
METHOD
TEMP/C
TESI TYPE
86
76-44
-8
KB I
TECH
FLOW
30
EARLY LIFE STAGE
37
76-44
-8
XCI
FLOW
30
ORMC-ADULT
88
78-87-5
XAL
FLOW
EARIY LIFE STAGE
89
79-00
-5
XAL
FLOW
25
EARtf LIFE STAGE
90
79-34
-5
XAL
flow
25
EARLY LIFE STAGE
7
3
9
10
11
12
13
SPECIES
:ONC RANGE
NOM/MEAS
UNITS
cac
E/F
LS
86
SHEEPSHEAO
MIN-
1.22-4
.3
MEAS
UG/L
2 14
2.24
87
SHEEPSNEAO MIN-
.71-5.
7
MEAS
UG'L
1J
1
9
2.8
88
FATHEAD MINNOW
11-91
MEAS
MG^L
46
40
89
FATHEAD MINNOW
5000-48300
MEAS
UCL
4300.
46300.
90
FATHEAD MINNOW
1400-13700
MEAS
UG'L
1700.
13700.
14
15
16
17
10
19
21
21
22
ES
H
S/f
E/S
TM
NO EFF
UC/L
NE
NM/L
86
2 24
5.999748
87
5.7
L8;H;E<^F
19
5. #89072
88
H
353998.
89
48300.
362022.8
90
13700.
81612.71
A-ll
-------
Table A-l (Continued)
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMP/C
6
TEST TYPE
91
85-68-7
COAR
FLOW
EARLY LIFE STAGE
92
86-50-0
rcc
TECH
Fl
R
LOW
25
CHRONIC
93
¦97-86-3
OHAR
LOW
CHRONIC-EGGS
94
87-86-5
OHAR
90
FLOW
15
EARLY LIFE STAGE
95
88-06-2
OHAR
FLOW
EARLY LIFE STAGE
7
SPECIES
i
MOW
3
XNC RANGE
.02-.36
9
NOH/-rtEftS
MEAS
10
UNITS
11
CONC
12
EsF
13
LS
91
FATHEAD MINI
M&/L
.36
92
FATHEAD MINNOU
.1-195.9
MEAS
UG/L
.51
.51
18
93
SHEEPSHEAO 11 IN-
18-195
MEAS
UGA.
195.
195.
94
RAINBOW TROUT
10-46
NOW
UGA.
20.
20.
95
FATHEAD MINNOW
.13-2.1
MEAS
MGsL
2.1
2.1
91
14
ES
15
H
16
S'F
17
E/S
16
TM
19
NO EFF
20
UC^L
21
NE
22
NM/L
LS;H;G
360
*
1152.483
92
61.4
.51
.31
1.607109
93
195.
195.
732.0947
94
H
20.
75.08663
95
H
2100.
10635.01
1
2
3
4
5
6
CAS NO.
CLASS
PURITY
METHOO
TEMP/C
TEST TYPE
96
88-85
-7
OHAR
95.8*
FLOW
10
EARLY LIFE STAGE
D7
89-36-3
IARALP
FLOW
EARLY LIFE STAGE
98
91-20
-3
ARALP
FLOW
EARLY LIFE STAGE
33
93-76
-5
MIS
ANAL
R-
STATIC
ACUTE EGG
TOX
100
95-50
-1
ARX
FLOW
EARLY LIFE STAGE
7
3
9
10
11
12
13
SPECIES
20NC RANGE
NOM'MEAS
UNITS
CONC
E/F
LS
96
LAKE TROUT
.5-10
MEAS
UG/1_
10.
10.
97
FATHEAD MINNOW
.04-.44
MEAS
MG/L
.44
98
FATHEAD MINNOW
.085-.44
MEAS
MG'L
.44
99
MEDAKA
14-30
NOM
PPM
20.
100
FATHEAD MINNOW
.46-2.
5
MEAS
MG/L
.52
52
14
15
16
17
18
19
20
21
22
ES
H
S'F
E^S
TM
NO EFF
UG/L
NE
MMA.
96
10.
41 62816
97
LS>H
-------
Table A-l (Concluded)
1
CAS NO.
2
CLASS
3
PURITY
4
METHOO
5
TEMP/C
6
TEST TYPE
101
95-57-8
OHAR
FLOW
EARLY LIFE STAGE
102
99-95-3
ARN02
FLOW
EARLY LIFE STAGE
103
MIS
90*
FLOW
EARLY LIFE STAGE
104
OHAR
99.5*
STATIC
ACUTE EGG TOX
1C5
STATIC
ACUTE EGG TOX
106
XAL
FLOW
EARLY LIFE STAGE
7
SPECIES
«W
3
DONC RANGE
9
NOM/MEAS
10
UNITS
11
CONC
12
E/f
13
LS
101
FATHEAD MINI
.78-4
MEAS
MG/L
4.
102
FATHEAD MINNOW
5 5-32
MEAS
MGA.
32.
103
LAKE TROUT
35-1000
MEAS
UGst.
35.
35.
104
ZEBRA FISH
1-10
NOM
PPM
5.
6.
105
ZEBRA FISH
.002-03
MOM
«G/1-
.002
106
FATHEAD MINNOW
3.5-19
MEAS
MG/L
19.
14
ES
15
H
16
S/F
17
E/S
18
TM
19
NO EFF
20
UG^L
21
HE
22
Wl
101
LS;H;G
4000
*
31113.15
102
LSjHjG
32009.
*
259921.7
103
35.
144.9413
104
10.
jWO .
15899.72
105
.002
.002
20000.
89574.83
106
LS;H;G
19006.
*
132846.7
See Directory of Appendix A for definitions of symbols.
A-13
-------
Table A-2. Inorganic Chemicals:
Test Data
0
ROWNkME
1
CAS NO.
1 LEAD NITRATE
10099-74-8
2. LEAD HITRATE
10099-74-8
3. LEAD NITRATE fl10099-74-8
4. LEAD NITRATE
10099-74-8
5 LEAO NITRATE
10099-74-8
6. LEAD NITRATE
10099-74-8
7 LEAD NITRATE
10099-74-8
3. LEAO NITRATE
10099-74-8
3. LEAD NITRATE
10099-74-8
10. CADMIUM CHLORI-
10108-64-2
11 CADMIUM CHLORI-
10108-64-2
12. CADMIUM CHLORI-
10108-64-2
13 CADMIUM CHLORI-
10108-64-2
14. CADMIUM CHLORI-
10108-64-2
15. CADMIUM CHLORl-
10108-64-2
16. CADMIUM CHLORI-
10108-64-2
17. CADMIUM CHLORI-
10108-64-2
19. CADMIUM CHLORI-
10108-64-2
19. CADMIUM CHLORI-
10108-64-2
20 CAOMIUM CHLORI-
10108-64-2
21. CAOMIUM CHLORI-D 10108-64-2
22 CAOMIUM CHLORI-110108-64-2
23. CAOMIUM CHLORI-I 10109-64-2
24 CADMIUM CHLORI-I10108-64-2
29. CAOMIUM CHLORI-1110108-64-2
26. CAOMIUM CHLORI-H10108-64-2
27 CAOMIUM CHLORI-110108-64-2
29. CAOMIUM SULFATE J 10124-36-4
29 COPPER NITRATE §10402-29-6
30. SOOIUM OICHROH-
10588-01-9
31. SOOIUM DICHROM-
10588-01-9
32. SOOIUM OICHROM-
10368-01-9
33 SOOIUM OICHROM-
10588-01-9
34. SOOIUM DICHROrt-
10588-01-9
33. SOOIUM OICHROM-
10588-01-9
36. SOOIUM OICHROM-
10388-01-9
37. AMMONIW NH4CL >
12125-02-9
38. IRON HYOROXIOE
1309-33-7
39 IRON HYOROXIOE
1309-33-7
40. CULT'JRIC ACID
1CC4-93-9
•41. HYDROCYANIC AC-
74-90-8
,'42. HYDROCYANIC AC- Q74-90-8
43. HYDROCYANIC AC-
74-90-8
44. HYDROCYANIC AC-
74-90-8
45. HYDROCYANIC AC-
74-90-8
46 PLUTONIUM
7440-07-3
47. PLUTONIUM
7440-07-5
48 THALLIUM
7440-28-0
49. ANTIMONYC TFIOX-
7440-36-0
30. COPPER
7440-30-8
0 11
ROUNAME |CAS NO.
51 ALUMINUM CHLOR-
7446-70-0
52. ZINC CHLORIDE
7646-85-7
53 ZINC CHLORIDE
7646-85-7
54 SODIUM CHLORIDE
7647-14-3
55 SOOIUM CHLORIDE
7647-14-3
56. HICKEL< 01CHL OR -
7718-34-9
57. FERROUS SULFATE
7720-78-7
50. ZINC SULFATE
7733-02-0
59. ZINC SULFATE
7733-02-0
60. ZINC SULFATE
7733-02-0
61. ZINC SULFATE
7733-02-0
62. ZINC SULFATE
7733-02-0
63. ZINC SULFATE
7733-02-0
64. COPPER SULFATE
7738-98-7
63. COPPER SULFATE
7758-98-7
66. COPPER SULFATE
7758-98-7
67 COPPER SULFATE
7730-90-7
68. COPPER SULFATE
7738-98-7
69. COPPER SULFATE
7738-98-7
70. COPPER SULFATE
7758-98-7
71. COPPER SULFATE
7738-98-7
72. COPPER SULFATE
7738-98-7
73. COPPER SULFATE
7738-98-7
74. COPPER SULFATE
7758-98-7
73. COPPER SULFATE
7738-98-7
76. COPPER SULFATE
7758-98-7
77 COPPER SULFATE
7758-98-7
73 CCJTCR CfJLTATC jl 7755-98-7
79 COPPER SULFATE U7758-98-7
,'80 COPPER SULFATE |7758-98-7
81 COPPER SULFATE 1
7758-98-7
82. COPPER SULFATE
7758-98-7
83. COPPER SULFATE
7758-98-7
84 COPPER SULFATE
7758-98-7
85. COPPER SULFATE
7758-98-7
86. CHLORINE
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
26
3
TEST TYPE
6
SPECIES
1
10099-74-8
REAGENT
STATIC
ACUTE EGG TOX
ZEBRA FISH
2
10333-74-3
RHAGCHT
FLOW
FLOW
9-15
CHRONIC-EGGS
BROOK TROUT
3
10099-74-8
15
EARLY LIFE S-
HALLEYE
4
10099-74-8
FLOW
17
EARLY LIFE S-
NORTHERN PIKE
5
10099-74-8
FLOW
17
EARLY LIFE S-
WHITE SUCKER
7
CONC
RANGE
8
NOM/HEAS
9
CONC UNITS
18
E/F
11
LS
12
ES
13
H
14
S/f
1
36-72
NOM
UG/L PB
36.
2
.85-473.6
MEAS
UG/L
473.6
235.2
3
22-397
flEAS
UG/L
397.
4
33-483
MEAS
UCL
483.
5
33-483
MEAS
UG/L
233.
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
Zi
CHEMICAL
1
36.
44.3
LEAD NITRATI
2
33.3
33.3
S
LEAD NITRATI
3
H
397
36
s
LEAD NITRATI
4
H
483.
S
LEAD NITRATI
5
H
233
s
LEAD NITRATI
1
CAS NO
2
*URITY
3
METHOD
FLOW
4
TEMP/C
10
5
TE
EA
ST TYPE
6
SPECIES
6
10099-74-8
RLY LIFE S-
LAKE TROUT
*¦»
1
10O99-74-8
FLO»
Filoi
•J
10
EARLY LIFE S-
RAINBOW TROUT
8
10099-74-8
<1
25
EARLY LIFE S-
BLUEGILL
9
10099-74-8
FLOW
22
EARLY LIFE S-
CHANNEL CATFISH
10
10108-64-2
flow
15
EARLY LIFE S-
WALLEYE
7
CONC RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/f
6
48-483
MEAS
UG/L
83.
7
49-672
MEAS
UG/L
146
672.
8
12-447
MEAS
UG/L
120.
9
17-460
MEAS
UG/L
136.
10
1.3-86.7
MEAS
UG/L
86.7
It
13
E^S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
63.
8
LEAD NITRATE
7
146.
8
LEAD NITRATE
8
H
120.
S
LEAD NITRATE
9
H
136.
S
LEAD NITRATE
10
*
96 7
188
H
CADMIUM CHLORIDE
A-15
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
METHOO
4
TEMFVC
5
TEST TYPE
6
SPECIES
11
10108-64-2
FLOW
10
EARLY LIFE S-
BROOK TROUT
12
10108-64-2
FLOW
19
EARLY LIFE S-
WALLEYE
13
10188-64-2
FLOW
10
EARLY LIFE S-
BROOK TROUT
14
10108-64-2
FLOW
9.7
EARLY LIFE S-
COHO SALMON
15
10108-64-2
FLOW
18.1
EARLY LIFE S-
WHITE SUCKER
7
CONC RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
11
3-91
MEAS
UG/L
12
12
9-55
MEAS
UG/L
24.7
13
2-47
MEAS
UG/L
6.4
14
.6-106
MEAS
UG/L
12.5
15
.4-107
MEAS
UG/L
12.
TT
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
H-
12.
H
CADMIUM CHLORIDE
12
G-
24.7
S
CADMIUM CHLORIDE
13
H
6.4
S
CADMIUM CHLORIDE
14
12.5
S
CADMIUM CHLORIDE
15
12.
S
CADMIUM CHLORIDE
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
EARLY LIFE S-
6
SPECIES
16
10108-64-2
FLOW
15.9
NORTHERN PIKE
17
10108-64-2
FLOW
FLOW
9.6
EARLY LIFE S-
LAKE TROUT
18
10108-64-2
10
EARLY LIFE S-
BROWN TROUT
19
10108-64-2
FLOW
9.7
EARLY LIFE S-
BROOK TROUT
20
10108-64-2
FLOW
22
EARLY LIFE S~
CHANNEL CATFISH
7
CONC
RANGE
8
NOM/MEAS
9
CONC UNITS
— Ul
11
LS
12
ES
13
H
14
S/F
16
.3-104
MEAS
UG/L
12.9
17
.67-106
MEAS
UG/L
12 3
18
58-96
MEAS
UG^L
11.7
19
.48-103
MEAS
UG/L
11.7
20
2-59
MEAS
UG/L
59.
59
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
16
12.9
S
CADMIUM CHLORIDE
17
12.3
S
CADMIUM CHLORIDE
13
11.7
s
CADMIUM CHLORIDE
19
11.7
s
CADMIUM CHLORIDE
20
*
59.
H
CADMIUM CHLORIDE
A-16
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
MET!
FLO!
-too
4
TEMP/C
5
TEST TYPE
6
SPECIES
21
10108-64-2
•1
22
EARLY LIFE S-
CHANNEL CATFISH
OO
10188-64-2
3ENT
FLOW
FLOW
20.2
EARLY LIFE S-
SMALLMOUTH BASS
23
10108-64-2
REM
25
CHRONIC—EGGS
FLAGFISH
24
10108-64-2
REAGENT
FLOW
9-15
CHRONIC-EGGS
BROOK TROUT
25
10108-64-2
REAGENT
FLOW
9-15
CHRONIC-ADULT
BROOK TROUT
7
CONC RANGE
8
NOM^HEAS
MEAS
9
a
ut
3NC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
21
6-54
i/L
17.
22
.48-107
MEAS
UG/L
12.7
23
1.7-31
MEAS
UG/L CO
8.1
31.
8.1
24
.5-6.3
MEAS
UG^L CO
3.4
3.4
25
.5-6.3
MEAS
UCSL CD
3.4
1.6
W
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
H
17.
S
CADMIUM CHLORIDE
22
12.7
S
CADMIUM CHLORIDE
23
8.1
S
CADMIUM CHLORIDE
24
3.4
S
CADMIUM CHLORIDE
25
3.4
S
CADMIUM CHLORIDE
1
CAS NO.
2
»URITY
reagent"
3
METHOD
STATIC
4
TEMP/-C
5
TEST TYPE
6
SPECIES
26
10108-64-2
20
ACUTE EGG TOX
HUMMICHOG
Ci
10108-64-2
RHAGEjJT
STATIC
20
ACUTE EGG TOX
ATLANTIC SILUE-
28
10124-36-4
FLOW
16.1—
CHRONIC-ADULT
BLUEGILL
29
10402-29-6
REAGENT
STATIC
26
ACUTE EGG TOX
ZEBRA FISH
30
10588-01-9
FLOW
15
EARLY LIFE S-
WALLEYE
2^
7
CONC RANGE
.32-32
8
NOT
MB
1/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
MG/L CO
1.
27
32-32
MEAS
MG/L CO
3.2
28
2.3-2140
MEAS
UG/L CO
31.
29
36-72
NOM
UG/L CU
36.
30
80-2167
MEAS
UG^L
2167.
2167.
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H^S
21
CHEMICAL
26
1000.
CADMIUM CHLORIDE
27
3200.
CADMIUM CHLORIDE
28
31.
200
H
CADMIUM SULFATE
29
36.
COPPER NITRATE
30
*
2167.
36 2
S
SOOIUM DICHROMATE
A-17
-------
Table A-2 (Continued)
1
CAS HO.
2
=>URITY
3
METHOD
4
TEMP/I
5
TEST
EARL"
TYPE
6
SPECIES
31
10588-01-9
FLOW
17
C LIFE S-
NORTHERN PIKE
32
10588-01-3
FLOW
17
EARLY LIFE S-
WHITE SUCKER
33
10588-61-9
FLOW
10
EARLY LIFE 3-
LAKE TROUT
34
10588-01-9
FLOW
10
EARLY LIFE S-
RAINBOW TROUT
35
10588-01-9
FLOW
25
EARLY LIFE S-
BLUECILL
7
CONC RANGE
8
NOM/MEAS
9
CONC UNITS
10
E'F
11
LS
12
ES
13
H
14
ST
31
123-1975
MEAS
(JG/L CR
963.
32
123-1975
MEAS
UC/L CR
1975.
1975.
33
1.4-50.7
MEAS
MG^L
6
24.4
34
1.6-49.7
MEAS
1.6
3.2
35
57-1122
MEAS
UG/L CR
1122.
1122.
15
E/S
16
TM
17
NE
18
UGA.
19
HARDNESS
20
H/S
21
CHEMICAL
31
H
963.
S
SOOIUM OICHROMATE
32
*
1975.
6
SODIUM DICHROMATE
33
6000.
S
SOOIUM DICHROMATE
34
1600.
S
SODIUM DICHROMATE
35
*
1122.
S
SODIUM DICHROMATE
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
TEST TYPE
6
SPECIES
36
10588-01-9
FLOW
22
EARLY LIFE S-
CHANNEL CATFISH
37
12125-02-9
RCACCNT
FLOW
FLOW
10-12
EARLY LIFE S-
RAINBOW TROUT
38
1389-33-7
11
EARLY LIFE S-
BROOK TROUT
39
1309-33-7
FLOW
11
EARLY LIFE S-
COHO SALMON
40
1664-93-9
FLOW
17.3—
EARLY LIFE S-
WHITE SUCKER
36*
7
CONC RANGE
8
NOM/HEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
39-1290
MEAS
UGA. CR
305.
37
.05-37
MEAS
MCL
19
.28
38
.75-12
NOM
MG^L FE
12.
12.
39
.75-12
NOM
MG^L
6.
12.
40
4 2-8.09
MEAS
PH
5.41
4.53
36*
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
H
305.
S
SODIUM DICHROMATE
37
190.
106-123
H
AMMONIAC NH4CL)
38
*
12000.
159.18
H
IRON HYDROXIDE
39
6000.
H
IRON HYDROXIDE
40
SULFURIC ACID
A-18
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
TEST TYPE
6
SPECIES
41
74-90-8
FLOW
25
EARLY I TFE S-
BLUEGILL
42
74-90-0
FLOW
2.7-8-
CHRONIC-EGGS
ATLANTIC SALMON
43
74-90-0
FLOW
25
CHRONIC-FRY
FATHEAD MINNOW
44
74-90-0
FLOW
CHRONIC-ADULT
BLUEGILL
45
74-90-0
FLOW
9-15
CHRONIC-ADULT
BROOK TROUT
7
CONC
RANGE
8
NOM/MEAS
9
CONC UNITS
10
E^F
11
LS
12
ES
13
H
14
Sf
41
4.8-02.1
MEAS
UG/L
62.9
42
.01-.
1
NOM
MG/L
.01
43
5.7-105.8
MEAS
UCL
20.5
43.
44
5.2-08
MEAS
UG^L
45
5.7-75.3
MEAS
UCL
11.2
53.9
64 9
15
E^S
16
TM
17
NE
10
UG^L
19
HARDNESS
20
H/S
21
CHEMICAL
41
62.9
HYDROCYANIC ACID
42
.01
10.
HYDROCYANIC ACID
43
LS
20.5
HYDROCYANIC ACID
44
5.2
5.2
HYDROCYANIC ACID
45
11.2
HYDROCYANIC ACID
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP^C
5
TEST TYPE
6
SPECIES
46
7440-07-5
EARLY LIFE S-
FATHEAD MINNOW
47
7440-07-5
FLOW
EARLY LIFE S-
CARP
48
7440-20-0
EARLY LIFE S-
FATHEAD MINNOW
49
7440-36-0
FLOW
EARLY LIFE S-
FATHEAD MINNOW
50
7440-50-8
FLOW
9.6
CHRONIC-AOULT
BROOK TROUT
46*
7
CONC RANGE
8
NOfVMEAS
MEAS
9
CC
pi
*C UNITS
10
E/F
11
LS
12
ES
13
H
14
S^F
m
.4
47
MEAS
PPM
.4
48
.04-72
MEAS
MG/'L
04
.35
49
.62-7.5
MEAS
UC/L
7.5
7.2
50
4.4-32.5
MEAS
UCL CU
17.4
9.
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H^S
21
CHEMICAL
46
.06
400.
PLUTONIUM
47
.06
400.
PLUTONIUM
48
40.
THALLIUM
49
*
7.2
ANTIMONY< TRIOXIDE>
50
H-
9.
44
S
COPPER
A-19
-------
Table A-2 (Continued)
51
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/X:
5
TEST TYPE
6
SPECIES
7446-70-0
FLOW
ACUTE EGG TOX
RAINBOW TROUT
CO
Ji.
7646-85-7
KCAGCNT
FLOW
FLOW
9-15
EARLY LIFE S-
SOCKEYE SALMON
53
7646-85-7
REAGENT
9-15
CHRONIC-AOULT
SOCKEYE SALMON
54
7647-14-5
STATIC
19
EARLY LIFE S-
BUFFALO FISH
55
7647-14-5
STATIC
20-26
EARLY LIFE S-
GOLDFISH
IT
7
CONC RANGE
8
NOM/HEAS
NOM
9
CC
MC
3NC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
.052-5.2
IA. AL
5 2
52
30-242
MEAS
UG/L
242.
242
53
30-112
MEAS
UG/L
112
112
112.
54
3-15
NOM
PPM
15000
55
2000-8000
NOM
PPM
2000.
IT
15
E/S
16
TM
17
NE
18
UG/L
5200.
19
HARDNESS
20
H/S
21
CHEMICAL
*
ALUMINUM CHLORIDE
52
*
242.
32-37
8
ZINC CK.0RIDE
53
*
112.
8
ZINC CHLORIDE
54
6000.
H
1 5X107
S
SODIUM CHLORIDE
55
2.X10^
SODIUM CHLORIDE
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
TEST TYPE
6
SPECIES
56
7718-54-9
REAGENT
FLOW
13-25
CHRONIC-ADULT
FATHEAD MINNOW
57
7720-78-7
KCAGCNT
FLOW
FLOW
24
CHRONIC-ADULT
FATHEAD MINNOW
58
7733-02-0
REAGENT
5-15
CHRONIC-ADULT
BROOK TROUT
59
7733-02-0
REAGENT
FLOW
12.7
EARLY LIFE S-
RAINBOW TROUT
60
7733-02-0
REAGENT
FLOW
25
EARLY LIFE S-
FATHEAD MINNOW
7
CONC
RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
56
.082-
1.6
MEAS
MG/L NI
.73
73
57
2-52.
9
MEAS
MG/L FE
2.
2.
58
.04-1
.35
MEAS
MG'L ZN
1.35
59
36-547
MEAS
UG^L ZN
260.
60
44-576
MEAS
UG^L ZN
295.
15
E/S
16
TM
17
NE
18
UG'L
19
HARDNESS
20
H/S
21
CHEMICAL
56
.73
730.
200
H
NICKEL
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
TEST
TYPE
6
SPECIES
61
7733-02-0
REAGENT
FLOW
25
CHRONIC-EGGS
FATHEAO MINNOW
62
7733-
02-0
FLOW
25
CHRONIC EGGS
FLAGFISH
63
7733-02-0
STATIC
ACUTE EGG TOX
ZEBRAFISH
64
7758-
98-7
FLOW
15
EARLY LIFE S
WALLEYE
65
7758-
98-7
FLOW
ie
EARLY LIFE S
BROOK TROUT
7
CONC
RANGE
8
NOM/MEAS
9
CONC
UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
61
44-576
MEAS
UG/L
ZN
295.
295.
145.
62
28-267
MEAS
UG/L
ZN
139.
267.
139.
63
MEAS
MG/L
ZN
19.
64
9-71
MEAS
UG/L
71.
65
5-74
MEAS
UG/L
49.
74
15
E^S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H'S
21
CHEMICAL
61
295.
295.
S
ZINC SULFATE
62
139.
S
ZINC SULFATE
63
19000.
ZINC SULFATE
64
*
71.
45
H
COPPER SULFATE
65
49.
H
COPPER SULFATE
1
CAS NO.
2
PURITY
3
METHOD
4
TEMP/C
5
TEST TYPE
6
SPECIES
66
7758-98-7
REAGENT
FLOW
5.9
EARLY LIFE
s-
SftALLMOUTH BASS
67
7758-98-7
KCAGCNT
FLOW
20
EARLY LIFE
S-
LAKE HERRING
68
7758-98-7
REAGENT
FLOW
5.5
EARLY LIFE
S-
BROWN TROUT
69
7758-98-7
REAGENT
FLOW
5.7
EARLY LIFE
S-
BROWN TROUT
70
7758-98-7
REAGENT
FLOW
5.6
EARLY LIFE
s-
BROOK TROUT
66*
7
CONC RANGE
8
NOM/MEAS
MEAS
9
CONC UNITS
UG/L
10
E/F
11
LS
12
ES
13
H
14
S/F
103.8
67
MEAS
UG/L
102.8
456.
68
3.9-498.4
MEAS
UG/L
104.6
104.6
69
4.0-469.4
MEAS
UG/L
43.2
102.3
70
4.0-456.1
MEAS
UG/L
43.5
456.1
66s
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
E-
103.8
S
COPPER SULFATE
67
102.8
8
COPPER SULFATE
68
104.6
S
COPPER SULFATE
69
43.2
S
COPPER SULFATE
70
43.3
S
COPPER SULFATE
A-21
-------
Table A-2 (Continued)
1
CAS NO.
2
PURITY
3
METHOO
4
TEMP/C
5
TEST TYPE
6
SPECIES
71
7758-98-7
REAGENT
FLOW
53
EARLY LIFE S-
LAKE TROUT
72
7758-98-7
RCAGCMT
FLOW
FLOW
13.6
EARLY LIFE S-
NORTHERN PIKE
73
7758-98-7
REAGENT
14 9
EARLY LIFE S-
WHITE SUCKER
74
7758-98-7
REAGENT
FLOW
10 8
EARLY LIFE S-
RAINBOW TROUT
75
7758-98-7
FLOW
15
EARLY LIFE S-
WALLEYE
7
CONC RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
71
4.5-454.4
MEAS
UG/L
42.3
454.4
72
3.2-485.3
MEAS
UG/L
104 4
485 3
73
6-934
MEAS
UG/L
33.8
317.6
74
5.3-1076.3
MEAS
UG/L
31.7
31 7
75
3-91
MEAS
UG/L
47.
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
71
42.3
S
COPPER SULFATE
72
104.4
S
COPPER SULFATE
73
33.8
S
COPPER SULFATE
74
31.7
S
COPPER SULFATE
75
L-
47.
S
COPPER SULFATE
1
CAS NO.
2
PURITY
3
METHOO
4
TEMP/C
5
TEST TYPE
6
SPECIES
76
7758-98-7
FLOW
10
EARLY LIFE S-
BROOK TROUT
•y-y
1 1
7758~98-7
FLOW
22
EARLY LIFE S-
CHANNEL CATFISH
78
7758-98-7
FLOW
22
EARLY LIFE S-
CHANNEL CATFISH
73
7758-98-7
TECHNI-
FLOW
19-26
CHRONIC-FRY
FATHEAD MINNOW
80
7758-98-7
FLOW
20-26
CHRONIC-FRY
FATHEAD MINNOW
7
CONC
RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
76
5-95
MEAS
UG/L
27.
13.
77
7-66
MEAS
UG/L
19.
78
3-24
MEAS
UG/L
18.
79
12-99
MEAS
UG/L CU
38
59.
80
12-99
MEAS
UG/L CU
38.
15
E/S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
76
27.
S
COPPER SULFATE
77
H
19.
H
COPPER SULFATE
78
H
18.
S
COPPER SULFATE
79
H
38.
H
COPPER SULFATE
80
ES
38.
H
COPPER SULFATE
A-2 2
-------
Table A-2 (Continued)
sT
1
CAS NO.
2
PURITY
3
METHOD
4
TEMFVC
5
TEST TYPE
6
SPECIES
7758-98-7
REAGENT
FLOW
16-25
CHRONIC-FRY
FATHEAO MINNOW
32
7758-98-7
TCCJSJI
FLOW
FLOW
19-26
CHRONIC-AOULT
FATHEAO MINNOW
83
7758-98-7
REAGENT
0-30
CHRONIC-AOULT
FATHEAO MINNOW
84
7758-98-7
FLOW
20-26
CHRONIC-AOULT
FATHEAD MINNOW
85
7758-98-7
REAGENT
FLOW
13-28
CHRONIC-ADULT
BLUEGILL SUNFI-
sr"
7
CONC RANGE
8
NOM/MEAS
MEAS
9
CONC UNITS
UG/L
10
E/F
^0)
^ J
12
ES
13
H
14
S/f
5 8-95
82
11-96
MEAS
UG/L CU
36.
58.
83
.033-56
MEAS
MG/L CU
.12
.12
84
10.5-99.5
MEAS
UG/L CU
38.
85
3-162
MEAS
UG/L CU
162.
15
E^S
16
TM
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
81
33
H
33.
H
COPPER SULFATE
82
H
36.
H
COPPER SULFATE
83
H-
120.
H
COPPER SULFATE
84
ES
38.
H
COPPER SULFATE
85
162.
S
COPPER SULFATE
86*
1
CAS NO.
7782-50-5
2
aURITY
3
METHOD
STATIC
4
TEMP/C
5
TEST TYPE
6
SPECIES
25
EARLY LIFE S-
SPOTTED SEATRO-
87
7782-53-5
FLOW
FLOW
13-20
EARLY LIFE S-
STRIPED BASS
88
7782-50-5
15-20
EARLY LIFE S-
WHITE PERCH
89
7782-50-5
FLOW
15-20
EARLY LIFE S-
BLUEBACK HERRI-
90
7782-50-5
FLOW
15
CHRONIC-AOUL T
SHINER PERCH
ST"
7
CONC
.01-1
RANGE
8
NOM/MEAS
9
CONC UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
00
NCM
PPM
01
.12
87
.051-55
MEAS
MG/L
.15
88
.046-55
MEAS
MG/L
16
89
.14-84
MEAS
MG/L
.38
90
.02-11
MEAS
MCL
07
86*
15
E/S
16
TM
17
ME
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
10.
CHLORINECNA HYPOCHLORITE)
87
150.
CHLORINE(CA HYPOCHLORITE)
88
160.
CHLORINE
-------
Table A-2 (Concluded)
1
CAS NO.
2
PURITY
ANALYT-
3
METNQO
FLOW
4
TEMP/C
18
5
TEST
ACUTI
TYPE
6
SPECIES
91
7782-50-5
i EGG TOX
STRIPED BASS
92
7783-06-4
FLOW
FLOW
22.4—
EARLY LIFE S-
BLUEGILL
93
7783-06-4
6.8-2-
CHRONIC-AOULT
BLUEGILL
94
7786-81-4
REAGENT
FLOW
25
ACUTE EGG TOX
CARP
95
STATIC
ACUTE EGG TOX
CARP
7
CONC RANGE
8
NOM/MEAS
MEAS
9
CONC UNITS
MG/L CL
1
E
0
/F
11
LS
12
ES
13
H
14
S/F
91
01-21
01
92
.0018-0136
MEAS
MG/L
.0018
93
.001-.0041
MEAS
MG/L
.001
94
3-10
NOM
PPM HI
5.
95
1-5
NOM
MG/L HG
3.
15
E/S
16
TH
17
NE
18
UG/L
19
HARDNESS
20
H/S
21
CHEMICAL
91
10.
H
CHLORINE
95
3000.
MERCURYC DICHLORIDE>
1
CAS NO.
2
aURITY
3
METHOD
4
TEMP/C
5
TEST TYPE
6
SPECIES
96
STATIC
ACUTE EGG TOX
MEDAKA
97
STATIC
FLOW
ACUTE EGG TOX
CARP
98
EARLY LIFE S-
RAINBOW TROUT
99
STATIC
26
EARLY LIFE S-
ZEBRAFISH
7
CONC RANGE
8
NOM/MEAS
9
CONC
PPB
UNITS
10
E/F
11
LS
12
ES
13
H
14
S/F
96
10-30
NOM
15.
97
1-5
NOM
MG/L SE
5.
98
1-10
MEAS
MG/L MNS04
1.
99
.5-10
MEAS
MG/L SE
3.
15
E/S
16
TM
17
NE
18
IJG/L
15.
19
HARDNESS
20
H/S
21
Cf
ME
EMICAL
96
RCURY< DI CHLORIDE >
97
*
5000.
SELENIUTK DIOXIDE >
98
1000.
3
S
MANGANOUS SULFATE
99
H
3880.
45-50
S
SELENIUM DIOXIDE
See Directory of Appendix A for definitions of symbols. "HARDNESS":
mg/liter CaC03; "H/S" = hard (H; values >99) or soft (S; values <100).
A-24
-------
Table A-5. Orgaaics: Chemical Structures
6 Bl
ROWNAME II STRUCTURE
2
CLASS
3
CAS NO.
1. NITRILOACETATE, SODIUM
C6 Hg N NA3 Ofi
MIS
10042-84-9
2. •~-GROnOrHEW'.'L PHEi-i'.'L ETH-
C12 H9 BR 0
ARX
101-55-3
3. Z>4-OIMETHYLPHENOL
C8 H10 0
OHAR
105-67-9
4. 1/4-DICHLOROBEMZENE
Cg H4 cl2
ARX
106-46-7
5. 1,2-01CHLOROETHANE
c2 h4 cl2
XAL
107-06-2
6. METHYLMERCURIC CHLORIDE
c h3 a HG
MC
115-09-3
7. AFLATOXIN Bl
Cl7 »12 Ofi
COAR
1162-65-8
8. HEXACHLOROBENZENE
Cfi a_6
fiRX
118-74-1
9 2,4,6-TRINITROTOLUENE
C7H5N3 06
ARN02
118-96-7
10. 1,2,4-TRICHLOROBENZENE
Cfi H3CL3
ARX
120-82-1
11. 2/4-01NITROTOLUENE
C7 Hg N2 04
ARN02
121-14-2
12. MALATHION
Clfl Hig Ofi P S2
POS
121-75-5
13. RDX> CYCLOTRIMETHYLENE T-
C3 Hg Hfi Og
MIS
121-82-4
14. FENITROTHIOH
C9 H12 N05P8
POS
122-14-5
15. TETRACHLOROETHYLENE
c2 cu
XAL
127-18-4
16. PHOSPHAMIOON
C11 H21 CL N O5 P
POS
1317-21-6
17. CAPTAN
Cg He CL* N 0? S
MIS
133-06-2
18 NIFURPIRINOL Hifl N2 O4
ARN02
13411-16-0
19. KETONE
Cie CLi?
XBI
143-50-0
20. ENDRIN
Cl2 H10 CLs 0
XBI
153-18-4
21. CAJJBCTURAN |]Ci2 His N O3
CON
1563-38-8
22 TRIFLURALIN IC13 Hie F3 N3 O4
NAR
1582-09-8
23. 5-CHL0R0URACIL Ic4 H3 CL N2 Cfe
UCON
1820-81-1
24. ATRAZINE
Cfl H14 CL Ns
NAR
1912-24-9
25. MIREX
Cl0 CL12
XBI
2385-85-5
26. DIAZINON
Cl3 H21 Nz O3 S
POS
333-41-5
27. 3-TRIFLU0R0METHYL-4-NITR-
C7 H4F2H O3
OHAR
393-11-3
28 FORMALOEHYOEC FORMALIN>
CH2O
MIS
50-00-0
29. DOT
C14 Hg CLS
XALAR
50-29-3
38. THALIDOMIDE
Cl3 Hl0 Nz O4
UCON
50-35-1
31 2,4-OINITROPHENOL
Cfi h4 N2 Og
OHAR
51-28-5
32. THIMEROSAL< MERTHIOLATE >
C9 H9 HG HA O2 8
MC
54-64-8
33. 1/3-DICHL0R0GCN2ENE
Cfi H< CL2
ARX
541-73-1
34. 1> 3-01CHLOROPROPENE
C3 H4CL2
XAL
542-75-6
35. NITROGLYCERINE
C3 Ha n3 09
MIS
55-63-0
36. CHLORAMINE
Cfi Hfi CL N 02 s
MIS
55-86-7
37. CARBON TETRACHLORIDE
C CL*
XAL
56-23-5
38. MALACHITE GREEN
c27 h33 n2
NAR
569-64-2
A-25
-------
Table A~5. (Concluded)
0 ll
ROWNAME R STRUCTURE
2
CLASS
3
CAS NO.
39. CHLOROANE
Cl0 Hg CL8
XBI
57-74-9
4C. LINCAJiE
C6 «6 CLe
XAL
58-89-9
41 CYGOH
C5 H12 N 03 P S2
POS
60-51-5
42. DIELDRIN
C12 He CL€ 0
XBI
60-57-1
43. Zi3-DINITROTOLUENE
C7 He n2 04
ARN02
682-01-7
44 PHENYLHERCURIC ACETATE
C8 He HC 02
MC
62-38-4
45 SEUIhKCARBARYL)
C12 H11 N 02
CON
63-25-2
46 1,2,3,4-TETRACHLOROBENZE-
Cfi H2 CL4
ARX
634-66-2
47. TGLBUTAMIDE
Cl2 H18 N2 O3 3
MIS
64-77-7
48. HEXACHLOROETHAHE
C2 CLfi
XAL
67-72-1
49. METHOXYCHLOR
Cifi His CL3 02
XALAR
72-43-5
50. TRYPAN BLUE
C34 H20 Ng O14 S4
MIS
72-57-1
51. 1> 1-DICHLOROETHYLENE
C2 Hz CL2
XAL
75-35-4
52. PENTACHLOROETHANE
C2 H CLS
XAL
76-01-7
53. METHYLMURCURY
C H3 HC
MC
76-44-8
54. HEPTACHLOR
Cl0 Hs CL7
XBI
76-44-8
55. 1»2-0ICHL0R0PR0PANE
C3 Hg CL2
XAL
78-87-5
56. 1/1/2-TRICHLOROETHANE
C2 Hs CL3
XAL
79-00-5
5? 1,1,Zj2-TETRACHLOROETHANE
c?h2cu
XAL
79-34-5
58. BUTYL BENZYL PHTHALATE jlCig H20 04
COAR
85-68-7
5D. A2IU°t!0C-M:Ti^('L BCia H12 N3 O3 P S2
POS
86-50-8
60. PENTACHLOROPHENOL
Cg H CL5 0
OHAR
87-86-5
61. 2,4,6-TRICHLQROPHENQL
Cfi H3 CLg 0
OHAR
88-06-2
62 OINOSEB
Cl0 Hi2 H2 Og
OHAR
88-85-7
63. ETHYLBEN2EHE
C8 H10
ARALP
89-96-3
64. NAPHTHALENE
C10 He
ARALP
91-20-3
65. 2>4>5-TRICHLOROPHENOXYAC-
Ce Hs CL3 03
MIS
93-76-5
66 1/2HDICHLOROBENZENE
Cfi H4 CL2
ARX
93-5&-1
67. 2-CHL0R0PHEH0L
Cfi Hs CL 0
OHAR
93-57-8
68. NITROBENZENE
Cg Hs N Os>
ARNQ2
98-95-3
69. PICLORAM
C6 H3 CL3 N2 02
MIS
76 09-TETRAHYDROCANNABINOL
C21 Hot 02
OHAR
71. 2-ACETYLAMINOFLUORENE
CIS H13 N 0
MAR
72. BIS< 2-CHL0R0ETHYL JETHER
C4 He CL2 0
XAL
"CLASS": See text, Table 2.
A-26
-------
Table A-6. Mixtures: Test Data
0
ROWNAME
1
CLASS
2
PURITY
3
METHOO
4
TEMP/C
5
TEST TYPE
1. ARACHLOR 1254
ARX
FLOW
CHRONIC-EGGS
2 A.WC1ILOR 1242
ATV* '
Hkf*
FLOW
24
CHRONIC-FRY
3. ARACHLOR 1248
ARX
FLOW
24
CHRONIC-FRY
4 LINEAR ALKYLBE-
POS
FLOW
25
CHRONIC-FRY
5. LINEAR ALKYLBE-
POS
FLOW
25
CHRONIC-FRY
0
ROWNAME
6
BROOK TROUT
7
CONC RANGE
.43-13 '
8
NOJWCAS
MEAS
9
UNITS
UG/L
10
CONC
13.
1. ARACHLOR 1254
2. ARACHLOR 1242
FATHEAO MINNOU
.86-51
MEAS
UG/L
2.9
3. ARACHLOR 1248
FATHEAD MINNOW
.23-15
MEAS
UG/L
1.8
4. LINEAR ALKYLBE-
FATHEAD MINNOU
06-1.09
MEAS
HG/L
.12
5. LINEAR ALKYLBE-
FATHEAO MINNOW
.02-.252
MEAS
MG/L
.106
0
ROWNAME
11
E/F
12
LS
13
ES
14
H
15
S/F
16
E/S
17
m
18
NO EFF
19
UG^L
1 ARACHLOR 1254
13.
13.
13.
2. ARACHLOR 1242
2.9
2.9
2.9
2.9
3. ARACHLOR 1248
1.8
i.e
1.8
H
1.8
4 LINEAR ALKYLBE-
.12
HjE/F
120.
5. LINEAR ALKYLBE-
.106
.106
.106
106.
0
1
2
3
4
5
ROWNAME
CLASS
PURITY
METHOO
TEMP/C
TEST
TYPE
6. LINEAR ALKYLB-
POS
60.8*
FLOW
22
CHRONIC-FRY
7. TOJAPHENE
>iAL
FLOW
25
CHRONIC-AOULT
8 TOXAPHENE
XAL
FLOW
17-
-26
CHRONIC-ADULT
9. AROCHLOR 1016
ARX
FLOW
30
CHRONIC-ADULT
10. AROCHLOR 1254
ARX
FLOW
30
CHRONIC-AOULT
0
6
7
8
9
10
ROWNAME
SPECIES
CONC
RANGE
NOM/MEAS
UNITS
CONC
6. LINEAR ALKYLB-
FATHEAO MINNOU
.35-2.7
MEAS
MG/L
2
.7
7. TOXAPHENE
FATHEAD MINNOU
13-173
MEAS
NG/L
173.
8 TOXAPHENE
CHANNEL CATFISH
49-630
MEAS
NG/L
630.
9. AROCHLOR 1016
SHEEPSHEAD MIN-
1-10
NOM
UG/L
10.
10. AROCHLOR 1254
SHEEPSHEAD MIN-
.1-10
MEAS
UG^L
.32
0
11
12
13
14
15
16
17
18
19
ROWNAME
E/F
L8
ES
H
S/F
E/-S
TM
NO EFF
UG/L
6. LINEAR ALKYLB-
2.7
<
2.7
2.
7
2.7
2700.
7. TOXAPHENE
* S/F
.173
8. TOXAPHENE
630.
63
9. AROCHLOR 1016
H;LS
10.
10. AROCHLOR 1254
.32
.32
.32
A-27
-------
Table A-6. (Concluded)
e
1
2
3
4
5
ROWNAME
CLASS
PURITY
METHOO
TEMP-'C
TEST
TYPE
11. LINEAR ALKYLB-
POS
FLOW
EARLY LIFE
STA-
12. LIhJEAR ALKVLD
rw
1 vv
FLOW
EARLY LIFE
STA-
13. LINEAR ALKYLB-
POS
9054
FLOW
EARLY LIFE STA-
14. ARACHLOR 1254
(*X
FLOW
12-
•14
EARLY LIFE
STA-
15. TOXAPHENE
XAL
FLOW
EARLY LIFE
STA-
e
6
7
8
9
10
ROWNAME
SPECIES
CONC
RANGE
NOM^MEAS
UNITS
CONC
11. LINEAR ALKYLB-
FATHEAD MINNOW
.2-74
MEAS
MG/L
31
12. LINEAR ALKYLB-
FATHEAO MINNOW
2.5-14.2
MEAS
MG/L
8
.4
13. LINEAR ALKYLB-
BLUEGILL
3-12
MEAS
MG^L
4
.6
14. ARACHLOR 1254
COHO
SALMON
4.4-56.4
MEAS
UGXL
7
.8
15. TOXAPHENE
BROOK
TROUT
39-502
MEAS
NGA.
502.
0
11
12
13
14
15
16
17
18
19
ROWNAME
E/F
LS
ES
H
S/F
E/S
TM
NO EFF
UGx-L
11. LINEAR ALKYLB-
.31
H
318.
12. LINEAR ALKYLB-
6.4
LS
8400.
13 LINEAR ALKYLB-
4.6
4.6
4600.
14. ARACHLOR 1254
7.8
7.8
7.8
15. TOXAPHENE
502.
H
.502
0
ROWNAME
1
CLASS
2
PURITY
3
METHOO
FLOW
4
TEMP/C
5
TEST TYPE
STA-
16. AROCHLOR 1016
ARX
30
EARLY LIFE
17. AROCHLOR 1254
Ar«u
FLOW
29
EARLY LIFE STA-
18. TOXAPHENE
XAL
FLOW
EARLY LIFE STA-
19. TOXAPHENE
XAL
FLOW
30
EARLY LIFE STA-
0
ROWNAME
6
SPECIES
7
CONC RANGE
.2-42
8
Norn
MEAS
1EAS
9
UNITS
10
CONC
15.
16. AROCHLOR 1016
SHEEPSHEAO MIN-
UG/L
17. AROCHLOR 1254
SHEEPSHEAO MIN-
06-3.48
MEAS
UG/L
3.48
18. TOXAPHENE
SHEEPSHEAO MIN-
.2-2.5
MEAS
UCL
2.5
19. TOXAPHENE
LONGNOSE KILLI-
.3-6.5
MEAS
UG^L
1.3
0
ROWNAME
11
E^F^
12
LS
15.
13
ES
15.
14
H
15
S/F
16
£/S
17
TM
18
NO EFF
19
UG/L
15.
16. AROCHLOR 1016
15.
17. AROCHLOR 1254
3.48
3.48
3.48
18. TOXAPHENE
2.5
2.5
19. TOXAPHENE
1.3
ES
1.3
For definitions of symbols see Directory of Appendix A.
A-28
-------
Table A-8. Chemical Nomenclature
0
ROWNAME
1
CAS NO.
2
CHEMICAL NAME
1. AFLATOXIN B1
1162-65-8
2,3> 6AA, 9AA-TETRAHY0R0-4-METH0XYCYCL-
OPEHT ACC3FUR0C3' -2' 4,53FUR0C2.3-H3C-
1U8ENZ0PYRAN-1/11-DIONE
2. ATRAZINE
1912-24-9
6-CHL0R0-N-ETHYL-N*-C1-METHYLETHYL>~
1/3.5-TRIA2INE-2/4-0IAMINE
3. AZINEPHOS-rtET-
HYL
86-50-0
PHOSPHOROOITHIOIC ACID 0,0-DIMETHYL—
S-C<4-0X0-1/2,3HBENZ0TRIAZIN-3<4H>-Y-
L)METHYU ESTER
4. CAFTAN
133-06-2
3A/4/7/7A-TETRAHYDR0-2CTHIOJ-lH-ISOINDOLE-l/3<2H MJIONE
5. CARBOFURAN
1563-38-8
2.3-0IHYDRO-2,2-0IMETHYL-7-BEN20RJRA-
NOL METHYLCARBAMATE
6. CARBON TETRAC-
HLORIDE
56-23-5
TETRACHLOROMETHANE
7. CHLORAMINE
N-CHLORO-4-METHYLBEMZENESULFONAMIDE -
SODIUM SALT
8 CHLORDANE
57-74-9
l/2,4/5/6/7/8,8-0CTAHYDR0-2,3/3A/4,7-
>7A-HEXAHYDR0-4/7-METHANO-1H-INOENE
9. CYGON
60-51-5
PHOSPHORODITHIOIC ACID O.O-DIMETHYL—
S-C2-< METHYLAMINO J-2-0X0ETHYU ESTER
10. D9-TETRAHYDRO-
CANNABINOL
TETRAHYDRO-6/6,9-TRIMETHYL-3-PENTYL--
6H-0IBENZCB,03PYRAN-1-0L
11. DDT
50-29-3
1/1'-<2,2,2-TRICHLOROETHYLIDENE»ISC-
4-CHLOfOBtN2ENE3
12. DIAZINON
333-41-5
PHOSPHOROTHIOIC ACID 0,0-0IETHYL-O-C-
6-METHYL-2-<1-METHYLETHYL>-4-PYRIMID-
INYLJ ESTER
13. DIELDR1N
60-57-1
3»4»5j6/9»9-HEXACHL0R0-1A/2/2A/3/6/6-
A> 7,7A-0CTAHYDR0-2.7' 3,6-OIMETHAHOHA-
PHTHC2,3-B30XIRENE
14. DINOSEB
88-85-7
2-<1-METHYLPROPYL >-4,6-DINITRDPHEN0L
15 ENDRIN
153-18-4
I<2/3(4/10/10-HEXACHLOR0-6/7-EPOXY-1-
/4/4A,5/6/7.8/8A-0IMETHAN0NAPHTHALENE
16. FENITROTHION II122-14-5
PHOSPHOROTHIOIC ACID O/O-DIMETHYL-O—
<3-METHYL-4-NITROPHENYL) ESTER
A-29
-------
Table A-8. (Concluded)
e 111
ROWMAME ||CAS NO.
2
CHEMICAL. NAME
17. HEPTACHLOR
76-44-8
1 / 4,5,6,7,8,8-HEPTACHL0R0-3A, 4,7,7A—-
TETRAHYDRO-4,7-METHAN0INDENE
18. KEPONE
143-50-0
OECACHLOROOCT AHYDRO-1,3,4-METHEN0-2H-
-CYCLOBUT AfXOJPENT ALEH-2-0NE
19. LINDANE II58-89-9
1A/ 2A, 38/ 4A, 5A,6B-HEXACHLOROCYCLOHEX-
ANE
20. MALPTHION
121-75-5
C< DIMETHOXYPHOSPHINOTHIOYL )THICOBUTA-
NEDIOIC ACID DIETHYL ESTER
21. METHOXYCHLOR
72-43-5
1,1 • -< 2,2,2-TRICHLOROETHYLIDENE )-BIS-
C4-METH0XYBENZENE3
22. MIREX
2385-85-5
1/1A,2,2,3,3A,4,5,5,5A,5B,6-D00ECACH-
LOROOCTAHYDRO-1 , 3,4-METHENO-IH-CYCLO-
8UTACCD3PENTALENE
23. NUFURPIRINOL J13411-16-0
6C2-< 5-MITR0-2-FURANYL )ETHEHYL3-2-PY-
RIDINEMETHANOL
24. NITRILOACETAT- 110042-B4-9
E, SODIUM I
N,N-8IS-l-METHYL-3-OXO-l-PROPENYL DIM-
ETHYL ESTER
27. PICLORAM
4-AMINO-3/5/6-TRICHLOROPICOLINIC ACID
28. RDX; CYCLOTRI-
METHYLENE TRINITR-
AMINE
121-82-4
HEXAHYDRO-1,3,5-TRINITR0-1,3,5-TRIA2-
INE
29. SEUIN (CARBAR-
YL)
63-25-2
1-MAPHTHALENOL METHYLCARBAMATE
30. THALIDOMIDE
50-35-1
2-< 2j 6-OIOXO-3-PIPERIOINYL )-lH-I SOIN-
OOLE-1 / 3< 2H >-OIONE
31. THIMEROSAL MERCORY S-
OOIUM SALT
32. TOLBUTAMIDECN-
A>
64-77-7
N-C< BUTYLAMINO X^RB0HYL3—4-METHYL-BE-
NZENE SULFONAMIDE
33. TRIFLURALIN D1582-09-8
2/6-0INITR0-N/N-DIPR0PYL-4-< TRIFLUOR-
OMETHYL J6ENZENAMINE
34. TRYPAN BLUE 172-57-1
3/ 3 * -C< 3,3' -0IMETHYLC1,1' -BIPHENYL3—
4,4 * -OIYL »IS< AZO >JBISC5-AMIN0-4-HYD-
R0XY-2»7-NAPHTHALENEDISULFOHIC ACID3-
A-30
-------
Table A-9. Data Base References.
8
KMMTC
1
CAS NO.
2
REFERENCE
•
IKMNAfC
CAS HO.
2
REFERENCE
1 NITRILOAC-
ETATE, 800lUn
16942 84 9
ARTHUR, J. W. CT AL-MATER RES 8~
1187-193C 1974)
23 KEPONE
143-58-8
HANSEN*O.J. ET AL-OCSAPEAKE -
SCI 18'227-232C1977)
2 4-fifrOrtOPM-
EMYL PHENYL ET-
HER
18A-35-3
8ENTLEY/PETR0CELL 1, PERSONAL -
CONN.
26. KEPOHE
143-58-8
D J.HANSEN.L A.GOOOHAN,A. J.WI-
LSON, CHESAPEAKE SCMS<227<19-
77)
3. 2.4-OIfCT-
HYLP*HOL
189-67-9
CENTLEVPtlROCELH, PERSON*. -
cam.
27. DCRIN
153-18-4
tCRHANUT2,R.O -ARCH ANUIROH T-
OK 41159-168* 1978)
4. 1,4-OIOL-
ORMEMZBC
186-46-7
EP*-€RL(DLUmol988
28. OBR2N
133-18—4
HANSEN ..D.JET AL-J TOX EHYIRO-
N HEALTH 3'721-7Z3C1977)
5 1,2-OICHL-
QROETHflNE
187-86-2
EPA-€RL<0tUmO19S8
29. EttRIN
133-18-4
!YATOM,K. CT AL PR0GRE8SIYE -
FISH CULT 199-162(1998)
6 »CTHYL«ER-
CLVtlC CL
115-89-3
NCK1N,J.N. CT AL-J FISH ICS 8-
0 CAN 33 -2726-273X1976)
38. DCRIN
133-1S-4
lYATOHI'K- ET AL PR0CRESS1UE -
FISH CULT 155-162C 1958)
7. WTHYUCR-
CURIC CHLORIDE
119-89-3
P.NEI8 4 J. 8.ME18,TERATOL* 18>-
317(1977)
31. DCRIN
153-18-4
S.C.SCHIff«L,PR.PARISH,D.J H-
ANSEN, J.N. PATRICK , J. FOARESTER-
,proc 28 car si absoc-
8 AFLATOKXN-
81
1162-69-8
C.C.LLEWELLYN,C.A.8TEPHEHS0H,-
J.M.HOFNAH,TOXICON« 19'982( 197-
7)
32 ENDRIN
153-18-4
A.W.JARUNCN ft R.N.TYO'ARCH E-
NUIRON CCNTAH T0X,7'489( 1978)
9 HEXACHLCR-
08ENZBC
118-74-1
EPA-EKL(0LJLUTH)1968
33 DCRIN
153-18-4
K.IYAT0N1.Y.1TAZAHAP R. CT AL. CPA-6M^-
-78-918(1978)
12. 1,2,4-TRI-
OU3ROSCNZENE
120-82-1
EPA-€RL<0ULUTH)1988
36 5Oi0Mh
WCIL
1828-01-1
JOHNSON,A.C. CT AL TRHH6 AfC-
R FISH SOC 186'466-46* 1977)
13. 2,4-OINIT-
ROTOLUENE
121-14-2
LIU, 0. imJBLlWED
37 ATRAZINE
1912-24-9
HACEK'K.J. CT AL-CPA-688^3-716-
-•47
14. m-ATHION
121-75-5
tCRNAHJT2,R.0.-4RCH ENVIRON T-
OM 4' 159-1C8< 1978)
38. ATRAZINE
1912-24-9
NACCK.K.J. CT AL-EPA-688^3-76-
-•47
19. IttLATHIOH
121-79-9
K.KAUt % H.8.TOOR, XND J OCR •-
ICL,1S19®C 1977)
39 ATRAZINE
1912-24-9
NACEKiK J CT AL-CPA C88 3-76-
-•47
16. HALATHION
121-799-9
PA*RISH,P.R. CT AL-£PA-68*'3—
77-869
48 NIREX
2385-85-5
J.H.LS,C.E.NA9H,J R.SYLUCSTE-
R,EPA-668^3-75-815(1975)
17 RDX; CYCL-
OTRIMETHYLENE -
TR1NITRAMNE
121-82-4
8EHTLEY, R E CT AL USAMOC C-
ONTRACT OAK) 17-74-C-4181 (1»-
77)
41 DIAZINON
333-41-5
ALL1SQN,D T.UCRNANUTZ.R 0 E-
PA-608^3-77-86®( 1977 >
18 RCAu CYCL-
DTR (METHYLENE -
TRINITRAMI^C
121-82-4
BENTLEY, R.C. CT AL U6AHRDC C-
OKTmCT OAND-17-74-C-4181 <19-
78)
4£. DIAZINON
333-41-5
ALLI90H,0 T.ft^CRNANLn'Z.R 0 E-
P»-6eS^y-77-«68( 1977)
19. wki cva-
OTRIHErHYLBC -
TRlNlTRfiflltC
121-82-4
BENTLEY, R E CT AL USANRDC C-
ONTRACT DAK>-17-74-C-41Bl <19-
78)
43. 01A2IN0N
333-41-5
L R.GOOONAN'D T.HflHSEN.O L GO-
PPACE,J.C.NOORE ft E.HftmCMS
20 FENITROTH-
ION
122-14-3
K.JCAUR ft M.S. TOOK* IND J «XP t-
IX,15<193( 1977)
44. DIAZINON
333-41-5
K.KAUR ft H S.TOOR.I® J EXP •"
I0L,15'193<1977)
21 TETRACHLO-
RQCTHVLDC
127-18-4
EPA-€RL( DULUTH >1988
43 3-TRIFLUO-
KHCTWYL-4-NIT-
RQPHENOL
3*5-11-3
L.C.OSON ft L.L.HARKING,J FIS-
N RES BO CAN,38 1847(1973)
22. PHOSPHAMI-
DON
1317-21-6
K.KALflt ft H.ft.TOOR, IND J G4» •-
IOL<19'193(1977)
46. FORNALOEH-
YDE(F0RHflLIH>
58 88 8
L.D.NR1GHT ft J.R.SNOU.PROC FI-
SH CU.T,37213( 1975)
23. CAFTAN
133-86-2
HERnANLTO.H.O. JF18H RES 80 -
CAN 38>1811-1817<1S73>
47. DDT
58-29-3
ALLISON,D. CT AL-US BUR SPORT-
FISH WILDLIFE RES REP 864< 19-
84)
24 NIFURPIRl-
NCX-( FURfiNACE)
13411-16-8
G.MlLLIAn8,R.C.8lNN0ND8 ft J F-
80Y0'J FI8H RES 80 CAN 32-69-
<1979)
48. DOT
58-29-3
SMITH,R.«.6C0LE»C.F. J FISNR-
ES BO CAN 38 1894-1898(1973)
A-3 1
-------
Table A-9 (Continued)
e
POUNftf*
1
CAS NO
2
REFERENCE
8
ROMNAME
1
CAS NO
2
REFERENCE
4® DOT
50-29-3
A H JARVI*CH,h J N0FF«AH,T W -
THERSLLM). J FISH RES 80 CAH,3-
4 2009< 1977)
73 SCUIH
63-25-2
CPftLSOH. A.R J FISH RES 80 CO-
H 29.563-587< 197| >
5fc. Tr^IOOMJ-
K
5d-33-i
HAGSTROH.B E t LQNIHC/S E>*-
ER1ENT1A 33 1227-122W 1977)
74 SEUJNCCAft-
63-25-2
K.KAUR I H.S.TOO®.INO J EXP #-
IX, 15'19* 1977)
31 2-4-01NIT-
ROPHENX
31-28-5
BEHTLEY/-PETR0CELL1, PERSONAL -
com
75 1.2,3,4-T-
nwcH-OPoeoc-
ENE
€34-66~2
EPA-ERLC OULUTH )1980
52 THIMEROSA-
KHERTHIQLATE)
54-64-8
L O.WIGHT i J R SNOW,FROG FI-
SH CULT>37«2i*1975)
76 TOLBUTflfll-
DE1980
55 HITROO-YC-
ERINE
55-€3-«
bchtleyv r e us**oc contrac-
T DAPO-17-74-C-4101 (1978)
79 rCTHOXYCM-
LOR
72-43-5
PAftRISH, P R ET AL-EPA-608^3—
77-059
56 NITROGLYC-
ERINE
55-63-6
86HTLEY, ft E JSAffWC CONTRAC-
T OAND-17-74-C-4181 <1978)
80 rCTHOXYCH-
LOR
72-43-5
*RNA>J H. i EISELE/P. J . -CPA—
R3-73-046
57 nitroglyc-
erine
53-C3-8
8EHTLEY. R E USWffOC CONTRAC-
T Cflf©-17-?4-C-4181 <1978)
ei METHOXYCH-
LOP
72-43-5
J.H LEE.C.E NASH.J.R SYL«STE-
R/EPA-668^3-75-015< 1975)
56 CHLORINE
55-66-7
JOM4SOH, A G,ET AL TRANS AHER-
F1SH SOC 106 <466-469( 1977)
Bl-
ue
72-57-1
BRIGGS'J C IMILSON/J G tW?T-
J FLORIDA PCfiO SCI 22 54-6K-
1959)
59 CH.QRAMINE
55-66-7
Gl.LPftSCN.F E HUTCH INS 1 L P-
LAMPERTI. TRANS flfCR FISH SO-
C 186 268(1977)
83 1,1-0ICH--
OROETHYLDC
75-35-4
BENTLFr'/'PETWXELLI. fersoial -
com
68 CAKBOH TE-
TRACHLORIDE
96-23-5
8ENTLEV/PETROCCU. I> PERSONAL -
COMM.
84 PENTAOCO-
RCCTHAtC
76-01-7
EPA-ERL( OULUTH >1900
61 NflLACHITE-
GREEN
969-64-2
L.D JJtl(XT,PROG FISH CULT,38 -
155< 1976)
85 METHYUCR-
CURY
76-44-8
DIAL.N A TERATOLOGY 17 0-92-
<1978)
62 CH.OROAHE
57-74—9
D«aCU,H D ET AL EPA-68&'-
3-77-819(1977)
86 tCPTAOLOR
76-44-8
L .R GOOONAHiD . J HANSEN. Jil CO-
UCH,J FORRESTER/PROC 30 IWN -
Ct**- SE ASSOC GAflE FISH GDHH,-
€3 CH.OROf*C
57-74-9
CAAOhCLLyt.O ET flL EPA-608^-
3-78-819(1977)
87. VCPTAOCOR
76-44-8
0 J HAHSEM 1 P R PAARISHJfiTH-
STP 634.APCR SOC TEST 19-
77 PPI17-126
64 CM-ORDANE
57-74-f
CAA0MEL1_,R D ET AL EPft-600'-
3-77-819(1977)
ee i/2-orcM.-
oropropane
78-87-5
BENTLEY/f>ETROCELLl> PCKSOIAL -
com.
65 CH.OPOANE
57-74-9
PAARISHtP.R ET AL EPA-608'3-
-78-010( 1978)
09 1,1.2-TRI-
CHLOPOETHAtC
79-08-3
EPA-€RL< OULUTH ) 1988
66 CHLuRCAHE
57-74-9
P R PARRISH/S C SCHIWEL'O J -
HANSEN. J.H PATRICK,J.FORRESTE-
ll, J TOK ENVIRON>€ALTH,1 4«9<-
» 1.1< 2,2-T-
ETRttCHLOROETftt-
HE
7»-3*-5
EPA-ERL (OULUTH)1980
67 LINDANE
58-89-9
HACEK/K J ET PL-EPA-€8^3-76-
-«46
91 BUTYL BEN-
ZYL PHTHACATE
85-68-7
BEHTLEY/^ETROCELLl, PERSONfiL -
com
68 LINDA*
38-89-9
mCEK.K J ET PL-€PA-600'3-76-
-•46
92 AZI^HOS-—
fCTKil.
86-58-8
I.R ACELrtAN,L L SH1TH/G 0 SUS-
DHOPJUl EHUIRON CONT TOX 1-
5726(1976)
69 CYGON
60-51-5
ROALES 1 PERLHJTTER
93 PENTACHLO-
ROPHEHOL
87-86-5
PAftRISH.R R ET AL EPA-608^*
-78-010( 1978)
78 OIELORIN
60-57-1
SHITH/R H iCOLE.C F J FISH R-
E$ 80 CAH 38 1894-1898(1973)
94 PENTACHLO-
ROPtCHX
87-86-5
C .A CH&f1AH i D L .SHJP*lftY/POf-
TAOtOROP»€HOL CHEN 1STRY, PHAR-
MACOLOGY I TOXICOLOGY,PLENUM,-
71 2,3-OmiT-
ROTOLUOC
682-81-7
BENTLEY/PETROCELLI . PERSONAL -
com
95 2.4,6-TRI-
CH.QROPHENOL
88-06-2
BEXTLEY/PETROCELLI. PERSONAL -
com
72 PHENYUCR-
CURIC ACETATE
62-36-4
J E KrH.STR0T1 i L HALTX/ BULL -
ENUIROH C0H7 TOX.7 111(1972 )
96 OINOSEB
88-85-7
MOOOUAflC'O F J FISH RES 00 C-
AH 33 1671-1676< 1976)
A-3 2
-------
Table A-9 (Conti nu t-»d )
e
ROMNAflE
1
CAS NO
2
REFERENCE
$? ETHYLBENZ-
El-C
89-96-3
BEWTL£V^PtT»OC£LLl , PERSONAL -
com
H^hTWLE-
NE
Si-**-3
BENTLEY.'fETROCELLI, PERSONAL -
CM
$9 2.4,5-TRI-
CNLOROPHENOXYA-
crric «:io
93-76-3
SCHRE!*IS-0 0 U«WAV,G J T-
ERATXOCY 14 297-29* 1976)
iae \,2-oich~-
OPOeEHZENE
95-S0-1
BEJmXrVPETROCELLI, PERSONAL -
am
101 2-CHJDROP-
HENOL
95-57-0
BOfTLTjvPETROC&Ll. PERSONAL -
com
102 NITRO0ENZ-
ENE
90-95-3
BEKTLEVPETROCELLI, PERSONAL -
cam
193 PICLORAN
MOOOMARD.OF J FISH RES 00 C-
AN 33<1671-16?6(197«>
194 W-TETWH-
YOROCANNA6INOL
thotias.r j tqxicol im ohm-
rtflCX 32 194-199(1975)
1«. 2-ACETYLA-
hinofluorw
N1SAOKA,* K CANCEL RES 26 52-
7-53»1956)
106 6!&k2-CHL-
ORGETHYL )€T>€ff
BOmXYfETROCELLI, PERSONAL -
conn
0
ROUNAfC
1
CAS NO
:e«9-74^P
2
REFERENCE
1 LE^OC NITR-
ATE )
0Z0H,D T E BULL ENVIRON COKT-
Mi Toxica 21 6*0-675< 1979)
t LLHLKN1IK-
ATE >
IWW <4-0
HOLCcree.c u et n. j fish «-
9 BO 33 1731-1741(1976)
3 LEPO NITR-
ATE
10099-74-0
S.SAUTER.K.S BUXTON,K J WCEK-
,S R PtTROCtLLI .EPA-60^3-76—
109( 1976)
4 L EfiO HI Tit-
ATT
10099-74-0
6 SAUTE*.K 6 BUXTON,K J WCEX-
,6 R PTrR0Cfl_LI1£PA-«^-76—
109(1976)
5 LEPO NITR-
ATE
10099-74-0
S SAUTER.K S 0UCTON,K . J nAOEK-
,S R PFTP0C£LLl,E«H«9*/3-7*—
105( 1976)
6 LEAD NITR-
ATE
10099-74-0
8 SAUTER.K S BUXTON,K.J.PVCEX-
,8 R PtTROCELi_I.EPA-60KJ-76—
105C 1976)
7 LEflC NITR-
ATE
10099-74-#
S SAUTE*,K S BUXTON/K J HAC0C-
,S R P€TROCCU.I.EPft-60»^'76—
105( 1976)
6 LEflO NITR-
ATE
10099-74-0
S SAUTER,K S BUXTON,K.J NACEX-
,8 R Prr*OCELLl.EPA-606^3-l»-
C1976)
9 LEflO NITR-
ATE
10099-74-0
8 SAUTER.K S BUXTON,KJ.NACCK-
,S R PrTROC£llI.EPA-60e^3-t05-
<1976)
10 uoiiun u-
1 Of.OR IDE
l«l*W-to4-2
S SAUTE*, K.S BUXTON, K.J HAC-
EK- S R P£TROCELLJ.EP*-600'3—
76-109< 1976 )
u CAon;i.w D-
ICHL0R10C
10100-64-2
S SAUTE*. K.S BUXTON, K J.MAC-
EK, S R PETROCELLl .EPft""609/,3—
76-109( 1976)
12 CAoniun C-
W-ORIOE
10100-64-2
S SAUTER.K.S BUXTON,K J.NRCCK-
,SR PETROCgU-I^epn 60S -3-76—
109(1976)
13 cpcniun c-
H_OR IDE
10100-64-2
S SAUTER.K S BUXTON,K J.WCSX-
,S R PET*OCB-LI,EPn 600^3-76—
109( 1976)
14 CACHIUH C-
K.ORIOE
10100-64-2
J C EATON, J .N. NCKIH'C. M HOLCO-
me;BULL ENUIRON CQWTAfl TOX,l-
9 99(1970)
15 c#wruM c-
HLORIDE
10100-64-2
J G EATON, J « fCKtH'G W HOLCXh
PK.BULL ENUIRON CONTAfl TOX,l-
9 99< 1970)
16 caomiuh c-
H_ORIDC
10100-64-2
J G EATON,J H NOCIH.C M MOLCO-
fK'BUX ENUIRON CONTAfl T0K,1-
9 95< 1970)
l? CAOMiun c-
HLQRIOE
10100-64-2
J C EATON, J B HCXin.G U.HOLCO-
HBE'SULt ENUIRON CONTAN TOX.l-
9 95(1970 >
1* LMUHilin L-
MLORIOE
101tt»-b4-2
J G EATON,JM NCKIM.C M HOLCO-
ree,Buu. enuiron contah tox.i-
9 99(1970)
19 CAOMIUH c-
nlorioe
10100-64-2
J.G EAT0N.J n HCK1H.G M HOLCO-
NBE.BULL ENUIRON CONTAN TOX.l-
9 99(1979)
20 CACniUH C-
HLORIDE
10100-64-2
S SAUTER.K S BWCW/KJ-g^OBC-
. 8 . R ¦ PETROCCLLt. EPO ¦ 600 '3-76—
109(1976)
21 CAONIUH C-
HLORIOE
10100-64-2
S SAUTER.K S BUXTON,KJ HACCK-
,S.ft PETROC«LLl.O»A-«00^-l09-
<1976)
22 CAOMIUN C-
HLORIOE
10100-64-2
J G EATON, J.n.nCKIH.G U HOLCO-
ree, bull enuiron contwi tox,-
19 99(1970)
23 CADMIUM C-
HLORIDE
10100-64-2
R.L SPEHA*. J FISH RES 00 CAN-
,33'1939(1976)
24 CACHIUH C-
NLORIOE
10100-64-2
0 A BEN01T, E N LEONARD,G N CH-
RISTENSEN, J. T FUNDT,TRAMS «-
ft FISH SOC 105 550(1976)
A-3 3
-------
Table A-9 (Continued)
e
RQtmC
CAS NO
2
REFERENCE
0
RQk+tiME
1
CAS NO
2
REFERENCE
2? CADMIUM C-
HLORIDE
10108-64-2
0 A 0OCIT.E H LEONARD,G A CH-
RISTEN5EN, J.I FUNDT, TRANS PH~
ER FISH SOC, 105 530(1576)
49 ANTIfOMVC -
TRIOXIDE)
7440-36-0
eCNTLEY'PETROCfiJ.l PERSONAL C-
am
26 c*cmiu« C-
h.orioe
10106-64-2
D P MIDOAUGH 4 J.M OEAN. IU-
ENUIRQN CONT<*t TOX, 17 64K1-
977)
50 COPf»»
744*-3*-b
J.N MOUN D A 6EN0IT.J FISN R-
ES 80 CAN. 31 449( 1974)
27 CACMIUM C-
HLORIOE
10100-64-2
O.P MlOOAUO* 1 J.N OEAN, tJLL-
£MJ IRON CONTAN TOX, 17 643(1-
>77)
31 ALUNIMLK -
CK.ORIOE
7446-70-0
U H.EUEXHART IRA FH£X«fiN,EF-
A-R3-73-811B< 1973)
28. caomium fr-
ULFATE
10124-36-4
J .C.EATON, TONS AMER FISH tOC-
, '729(1974)
32 ZIMC CH0-
R10E
7646-85-7
G A CHPPNflN. TRANS AMER FISN -
SOC. 107 828(1978)
29 CCPPOK NI-
TRATE )
18482-29-6
0ZGH,0 T £ BULL ENUIRON COHT-
AM TOXICOL 2l660-673< 1971)
53 ZIMC CHO-
RIOE
7646-95-7
G A CHtfWN, TRANS AMER FISN -
SOC, 107 828(1978)
3e soorun oi-
CHTOMATE
18388-81-9
S SAUTEJ?, K . S BUXTON; K J «C£X-
>SRPETROCS_LI,EPA-«08/3-76—
105( 1976)
54 SOOIUN CH-
LORIDE
7647-14-3
E E.HOLANOER,J H.AUALLT.PROG -
FISN CU-T, 37 47(1975)
31 . sooiun 01-
CHROHATE
iwae-ai-5
S SAUlfc*,K 8 BUXTON,K J MCEK-
>S R PETkue^LLI,EPA-6e0''3-76—
I0®( 1976)
55 SOOIUN CH-
LORrDE
7647-14-3
MARA I t ANDREWS (1977)
32 SOOIUM 01-
CHROWATE
i0see-«i~9
S SAUTER, K 8 BUXTON,K J MXK-
>8 .R PETROCaj-I,gn G96^J-?6—
10®( 1976)
5fc NICKELCOI-
CHLORIOE>
7718-54-9
PICKERING.8 H. J MATER PCU-LTT-
CONTR FED 46 -760-769(1974)
33 SODIUM Dl-
CHROfWTE
10588-01-9
S SAUTE*,K S . BUXTON - K J NACEK-
' S R PETROCELLI - EPA-608/3-76—
105< I976>
rr FERROUS s-
ULFATE
7720-78-7
E.J.SMITH,J L SYKORA.fi A SWP-
IRO/J FISH RES BO CAN,38 U47-
( 1973)
34 SODIUM 01-
CHROMATE
1053*-0i-9
S SAL/TLR>K . S . BUXTON,K J WC& -
>S R.PETR0CELLI,EP*-68e'3-76—
183( 1976 )
5o 2IHCi SULF-
ATE )
7733
HCLCoree.c u. et al trans a«-
R FISH SOC 188 76-07(1979)
35 SCOIUM 01-
CHTOMATE
10586-01-5
S SAUTER.K S BUXTON-K J.M6CEX-
»S. R. PETROCai I, £Pl^€ae^3-105-
(1976)
39 ZINC SULF-
ATE
7733-02-0
J R.SIH_EY,J P GOFm.P H OAU-
ies.blll enuiron contam T0X,1-
2193< 1974)
36 scciurt 01-
CHROhATE
18968-41-9
S. SAUTEX/K 8. Buxton..*;. j.HUGEK-
^s * PETRoc«LLi,cPA-«e8/3-i»-
i 1976>
60 ZINC SULF-
ATE
7733-02-0
0 A BENOIT i G U HOLXCVCE.J F-
ISN BIX. 13 791(1978)
3? ANMONIAfN-
H4CL)
12125-02-9
0 E BURKHflLTER I C.H KAYA, TRA-
MS ATCR FISH SOC, 186 47*1977)
61 ZINC SULF-
ATE
7733-02-0
O A BENOIT t G U HOLCOWE. J -
FISH BIX. 13 781(1978)
36 IRON HYDR-
OXIDE
1309-33-?
E.J SMITH 4 J.LSYKORA.TRANS -
m FISH SOC, 189 3®B< 1976)
62 ZINC SULF-
ATE
7733-02-0
R L SPEHflR. J FISH RES BO CAN-
,33 1939( 1976)
39 IRON HVOR-
OXIDC
1389-33-7
E J.SMITH 1 J L SYKORA-TRANS -
AN FISH SOC, IBS 308(1976)
63 ZINC SULF-
ATE
7733-02-0
R R ROALES i A.P PERLMLTTTER. -
BULL ENUIRON CONTAN I TOX, 12-
475-480 < 1974)
40 SULFURIC -
ACIO
1664-93-9
J R. TRQJNAR. J FISH RES BO Cfr-
N, 34 • 762< 1977)
64 COPPER SU-
LFATE
7756-90-7
S SALTER' < 6 BUXTON. K.J r*C-
EK. SR.PETROCELLI.EPA-€B8^3—
76-105<1976)
41 HYOROCY**-
IC ACIC
74-90-8
C L KlflttLL/L.L SMITH, SJBRO-
OERIUS, TRANS AtCR FISH SOC, 10-
7'341< 1970)
63 COPPER SU-
LFATE
7758-90-7
S SAUTER. K S BUXTON. ¥ J MAC-
EX. S R PETR0C£UI,EPA-68B/3—
76-105C1976)
41 HYDKCY«+-
IC ACIO
74 -0* 0
G LESUC' J FISH RES BO CAN,35-
'166<1978)
*6 COPPE* SU-
LFATE
7756-4*6-7
J M MCXIM,J G EATON,C M HOLCO-
MBE, BULL ENUIRON COKTAM TOX,J-
9 60K 1978)
43 HYOROCYflN-
IC AGIO
74-90-6
L L SMITH, SJBROOER1US,0 H D-
S£IO,GLKI>GALL,WHK0EMST,E-
PA-688/3-7»-009( 1979)
67 COPPER SU-
LFATE
7750-98-7
J.M MCKIM.J G EATON,C W MOLCO-
WE.BLLL ENUIRON COWTAH TOX, 1-
9<608( 1978)
44 HYCROCYfiH-
IC ACID
74-90-8
G L.KIWALL/L.L SMITHS J.flWQ-
OERIUS. TRANS AfCR FISN SOC, 1-
07 34K 1978)
68 COPPER SU-
LFATE
7730-96-7
J M.MDCIM.J G.EATON,C U HOLCO-
WE,BUU. ENUIRON CONTAN TOX, l-
9 608( 1978)
43 HYOROCY8H-
IC ACID
74-90-6
LL SMITH,8 J BRQOCRIUS.O.HO-
SEID/C.L KI««_L,W M KOE>«T,D-
T LINO'EPA-600/'3-7S-009< 1979)
69 COPPER SU-
LFATE
7758-98-7
J M MOCIM.J G EATON, C U HOLCO-
MBE,BULL ENUIRON CONTAN TOX,1-
9 608( 1978)
46 PLUTONIUM
7MM7-3
J E TILL i B G BLAYLOOC.CHEW-
i RAOIOL TOX OF PLOT TO OEUC-
L EreRYOS OF FISH.OAK RIOGE H-
70 COPPER SU-
LFATE
7756-90-7
J .M .MCXIM, J .G EATON, C N HOLCO-
HBE.BULL ENUIRON CONTAN TOX,1-
9 608( 1970)
47 PLUTONIUM
744®-07-3
J E.TTLL i B G BLAVLOCX,C»CK-
i RAOIOL TOX OF PLOT TO OEUC-
L EMBRYOS OF FISH.OAK RIOGE N-
?\ COPPER SU-
LFATE
7758-98-7
J M MCKIM.J G EATON.C M HXCO-
HBE.BULL ENUIRON CONTAN TOX,1-
9 600( 1976)
48. TV*LLIUK
744«-28-«
BCNTLEY PETROCELLI > PERSONAL -
com
72 COf*>ER SU-
LFATE
7758-98-7
J M.MCKtM,J G EATON,C U HOLCO-
NBE,BULL ENUIRON CONTAN TOX,1-
9 600( 1978)
A- 34
-------
Table A-9 (Concluded)
0
RCMNAftE
1
CAS NO
2
REFERENCE
0
ROUNAHE
CAS HO
2
REFERENCE
77 COPPER SO-
LVATE
77*8-98-7
J H HCKIh.J C EATON.CM HOLCO-
WE.BULL ENUIRON CONTAH TOM. 1-
9 688< 1978 >
97 SELEKIUHC -
DIOKIOE)
HUCKP6QE,J.W t GRIFFITH.N A -
TRANS AMER FISH SOC 163 822—
824(1974)
74 cgppe* SU-
LFATE
7758-98-7
J.H WCKIH.J C EATON.C M HOLCO-
MBE.BULL EHUIROH CONTAH TO*.1-
9 686( 1978)
s>6 nmc+*ou$-
SULFATE
H LEHIS.PROG FISH CULT, 38 63( -
1976)
75 COPPER SU-
LFATE
7758-96-7
S SAUTER.K $ BUXTON,K J r*CEX-
'5.R PETROCELLI,EPA-688/3-76—
1«5< 1976)
99 SELENIUM -
OIOXIOE
A.J Hini i Q.H LATHAfl,J FISH -
RES BO CAH.32 883( 1973)
76 COPPER SU-
LFATE
7758-98-7
S SAUTER K S 0UXTON/K J JMCEK-
.SR PETROCEU.I/EPA-68^3-76—
183C 1976)
77. COPPER SU-
LFATE
7738-96-7
S SAUTER.K S BUXTON,K J HACEX-
<8 R PETROCELLI.EPA-6Bf3-76--
180C1976)
e
ROHNAME
1
REFERENCE
76 COPPER SU-
LFATE
7756-96-7
8. SAUTER.K S BUXTON,K J.WCEK-
> S. R. PETROCtLL I, EPA-W^3-183-
(1976>
1 ARACH.OR -
1234
U L HAUCK.P n HE>8t£.F L «AYE-
R.J FISH RES 80 CAN.33 1064<1-
978)
79 COPPER SU-
LFATE
7758-98-7
J R CEOtER.M B.HORNING.TBK-
IHEI9EL.Q H PICKERIHG.E L R08-
IHSON.C E STEPHAN.£PA-Mf 3-7-
i MfcHUHLUfc -
1242
H.U.febfcKE* ET AL.TRANS MCR -
FISH 90C. 183'362(1974)
86 COPPER SU-
LFATE
7758-96-7
0 PICKERING. M 8KUNC8.fi. GMT. -
HATER RES.11 1879C1977 )
3 ARACHLOR -
1248
A U tEBEKER ET AL.TRANS AHER -
FISH SOC, 183 362( 1974)
81 COPPER SU-
LFATE
7758-98-7
0 I HOUHT. HATER R£S.2 219< 19-
68)
4 LINEAR AL-
KYL8ENZENE SU-
LFONATE
HOLWN.H F i K J HACEK. TRAH6-
AH FISH SOC. 189 122-131 (19-
86)
62 COPPt* SU-
LFATE
7756-9*-7
J R (ZCM-ER.M.B MORHIHG.T H.H-
EIKISEL-Q H PICKERING.E L RO-
•1N60N.C E. STEPHAN,EPA-6B6/1—
3 LI (CAR flL-
y "rLBENZDC SU-
LFONATE
H0U1AH.U F t K J HACEK, TRAH-
S (H FISH SOC. 189 122-131 <1-
966 >
63 COPPER SU-
LFATE
7758-96-7
H A BRINGS. J.R GECHLER.H GAST-
'MATER RES 16 37( 1976)
6 LINEAR AL-
KYLBENZENE SU-
LFONATE
Q H PICKERING 4 T O THATOCR.-
J MATER POLL COHTR FED.22 243-
(1978)
04 COPPER SU-
LFATE
7758-96-7
Q.PICKEXINC.M^RUNCS. H.GR8T.-
UATER RES/111167* 1977)
7 TOXAPtCNE
F. L. mYER. p. H. «HRL£. H. P. OHYE-
R.EPA-688/3-77-86* 1977)
89 COPPER SU-
LFATE
7758-96-7
O A 8EH0IT. TRANS ATCR FI8H 8-
X' 164 333< t975)
6 TOXAPHBC
F L.mYER.P
R.EPA-688^3
H HEHRLE.H P OHVE-
-77-869C1977)
86 CHL0R!IC(-
HA HYPOCHLORI-
TE >
7782-36-3
JCM4S0N.A C. ET flL TURNS «»-
FISH 80C 186 <66 «* 1977?
? AROCHLOR -
1816
0 L WHSEH
ISH SOC, 184
ET ALSTONS ATCR F-
984< 1973)
87 CHj*r*€<-
CA HYPOCHLORI-
TE )
7782-36-3
MORGAN,RP II i PRINCE,R.O T-
RANS ATCR FISH 80C 187 636-«4-
»(1978)
18 HNUU4.UK -
1234
U J HHNbfcN.S C 9CHtfflEL'J FOR-
RESTER.PROC 27 MER COHF SE A-
SSOC GAfC FISH COft* 19H)
88 CHLORirCc-
CA HYPOCHLORI-
TE>
7792-38-3
nORGAN.R.P.II i PRINCE.RO. T-
RAN6 ATCR FISH 90C 167 636-*4-
1C1978)
11 LINEA* AL-
KYLBEN2ENE SU-
LFONATE
H0U1AN.W F i K J.NACEX. TRAH-
S An FISH SOC. 199 122-131 (1-
960 )
89 CHLORINE<-
CA HYPOOtQRI-
TE>
7782-38-3
HOftGAN.R P.il t PRINCE.R D T-
AANS ATCR FISH SOC 187 636-64-
IC 1978)
12 LlfCAR AL-
90 OfcAftltC
7782-36-3
T O THATOCR. BULL EHUIROH CO-
HTAH TDK. 21 433(1979)
13 LIt€AR PL-
KNVfCNZEKC SU-
LFONATE
KEF HOKAHSOH ILL SHITH. TR-
ANS AHEK FISH S0C.1M 1< 1971)
91 CH_ORI>€
7782-38-5
0 P MOOAUW. J. A COUCH. A H -
CRANE, OCSArtAtt 9C1, 16 141-
(I977>
14 ARACHLOR -
1254
H T HALTER t H E JOWBOH.J FI-
SH RES BO CAH. 31 1543(1974)
92 HYCROGEH -
SULFIOE
7783-66—4
L.L SHITH.O H 06CI0/C L*!>•*-
LL.S.H EL-K/MXLGY' TWAHI AfCR-
FI8H 90C. 189 442< 1976)
1? TO>m€>€
P H HEWLE t F L HRYER.J FI8H-
RES 80 CAH.32 688C 1975)
93 HYDROGEN -
SULFIOE
7783-86-4
E.J SMITH,JL.SYKflRA.TRANS m-
ER FISH SOC.189 368(1976)
16 «OCfi.OR -
1816
O.J HANSEN ET AL«TWHS **** F-
1SH SOC. 184 384( 1979)
94 NI0CEL< SU-
LFATE)
7786-81-4
BLAYLOOCBC 1 FW¥*,fl.L BU-
LL ENJIRON COHTAH TOXICOL 21 -
604-411(1979)
17 AROCHLOR -
1234
S C SCHIWCL ET AL< TPtHS AHER-
FISH SOC.-183 382< 1974)
95 fCRCURY(D-
ICHLORIOE)
HUCKPSEE'J H li GRIFFITH,H.ft -
TRANS AflER FISH SOC 183 822—
824< 1974)
lb
UUUUriHN.t- R . DJHAN6*>^J
COUCH. i J. FORRESTER. PgC 3-
8TH CO* S E ASSOC OF GA-
96 rCRCURY<0-
1CHLORIOE)
tCISlNGEft, JF. 1 H GREEN, 6U.-
L EHU COHT L TOX. 14 663-673 -
<1973)
19 TCtXAP^OC
S C SCHIWEL. J H PATRICK. J.FO-
RRESTER.rtiCH EHU IRON COHT TOX-
.9 333(1977)
A-35
-------
Table A-10. Additional References (not Included in analysis).
0 111
ROMtttME HSPECIES
2
REFERENCE
3
REMARKS
t ACROLEIN
FATHEAD Ml WOW
HACEK.K J, H A LINORERG, S SAUTER-
. K $ BUXTOH 1 P A COSTA. EPA-608-
'W6-S99 < w*>
Fl FRY SURUIUAL REOUCEO AT 41-
7 M&/L
Z AffACNLW 1240
FmTHEAO MINNOW
0EFQE,0 L . GO UEITH t R H CARLS-
ON, J FISH RES 60 CAH> 33'997-100-
2 ( 1970)
Fl FRY HEIGHT REDUCED AT 8 4 -
U&^L - F8 AT 4 4 VGA.
3 ARACHLOR 1260 nFATtCAO HINHOH
DEFOE,Dl - GO UEITH 4. R H CARLS-
ON. J FISH RES 80 CAN. 33'997-100-
2 (1978)
F0 LENGTH REDUCED AT 1 3 UCL-
j SURUIUAL AT 4 UGA.
4. ARACMJK1SI6 flcHAMCL CATFISH
BIRGE.U J ET AL RE6 REPORTS 110,U-
N1U KENTUCKY MATER RESOURCES RES -
INST.LEXIHGTONS 1970 >
11.16 UCL
S MMOC.OR1016 [| GOLDFISH
BIRGE/H. J ET AL RES. REPORTS 118, li-
my KENTUCKY HATER RFflftWrCS AES -
INST-LEXINGTONS1979)
13 21 U&i.
6 ARACM_OR1016 |aaI»*OM TROUT
B1RGE/W J ET AL. RE8 REPORTS 110.U-
NIU KENTUCKY HATER RESOURCES RES -
IN8T .LEXINGTONS1970 )
1 80 U&i.
7 ARACHLOR1016 IflEOEAR 8UHFI8H
01RGE,H.J ET AL. RES REPORTS119.U-
NIU KENTUCKY UATER RESOURCES RES -
INST,LEXINGTONS 1978 >
7 82 U&1.
0 ARA014R1242 ICHAMCL CATFISH
B1RCE.W J ET AL AES REPORTS 110/l>-
NIU KENTUCKY HATER RESOURCES RES -
INST.LEXINGTONS19?0 >
4 24 UG^L
9 ARACHXR1242 |GOLDFISH
8IRGE.U J ET AL RES REP0RTS118,U-
NIU KENTUCKY HATER RESOURCES RES -
INST/LEXINGTONS 1978)
2 64 UG^L
10 HftACM-0R1242 |(Mlr«QH TROUT
8IfcG£.M J ET AL RES REPORTSllS.U-
HlU KENTUCKY MATER RESOURCES RES -
JWST,L£XINGTON<1978 >
1 03 U&i.
11 ARACM.0R1242 aREDEAR SUNF18GH
BIRGE/M J ET AL RES REPORTS 118,U-
NIl» KENTUCKY HATER RESOURCES RES -
INST. LEXINGTONS 1978)
3 36 J&V
12 ARACH-0R12S4 |uARIOU»
0IRGE.U J ET AL RES REPORT0118,U-
NIU KENTUCKY UATER RESOURCES RES -
INST. LEXINGTONS 1978)
STATIC REtCMRL BIOASSAY^FRY S-
URUIUAL'LC90
13- ARACtt_0R1254 |CHANNEL CATFISH
BIRGE.W J ET AL RES REPORTS 118,U-
NIU KENTUCKY MATER RESOURCES RES -
INST, LEXINGTONS 1978 >
I 76 UG^L
14 ARACM.0R1294
GOLD FISH
8IRGE.U J ET AL RES REP0RTill8,U-
NIU KENTUCKY MATER RESOURCES RES -
INST, LEXINGTONS 1978 >
1 18 LCL
13 ARACHL0R1294
RAINMW TROUT
BIRGE.W J ET AL RES REPORTil 18.U-
NIU KENTUCKY MATER RESOURCES RES -
INST/LEXINGTONS 1978 >
0 32 UC^L
16 ARACHL0R12S4
REDEAR eUTlSH
B1RG£,W.J ET AL RES REPORT*!|8.U-
NIU KENTUCKY MATER RESOURCES RES -
INST.LEXINGTONS 1978 >
0 93 UG^L
17 CAOrilUH
OWtCL CATFISH
SMITH,B P .HEJTHANCIK. 1 8 J CAHP-
,BULL ENUIROH CONTAH TOXICOL, 19<-
3) 271-277 C1976)
NOT A FISH REPROOUCTIUE STUDY
18 CAOHIUM
FATHEAD mwcm
PIOERING'Q H i H H CAST, J FISH-
RES BO CAN. 29-1099-1106 (1972)
REOUCEO EGG SURUIUAL AT 97 UG-
/L
19 CAPACITOR 21 JjREDEAR SUFISH
BIRGE.UJET AL RES REP0RT8118,U-
HIU KENTUCKY HATER RESOURCES RES -
INST .LEXINGTONS 1978)
6.3 ucn.
20 CAPACITOR 21
RAIMKM TROUT
BIRGE.U J ET AL RES.REPORTS118,U-
NIU KENTUCKY HATER RFflfMICES RES -
INST.LEXINGTONS 1978)
1 99 U&^L
21 CAPACITOR 21
CHANNEL CATFISH
BIRGE.W J ET AL RES REPORT# 118,U-
NIU KENTUCKY UATER RESOURCES RES -
IW8T.LEXINGTONS 1978 >
3 20 UGA.
22 CAPACITOR 21
GOLDFISH
BIRGE.U J ET AL. RES . REPORT* 110,U-
NIU KENTUCKY UATER RESOURCES RES -
INST, LEXINGTONS 1978)
14 09 U&a
23 CAPACITOR 21
LARGEHOUTN BASS
BIRGE.U.J.ET AL. RES.REPORTil 18,U-
NIU KENTUCKY UATER RESOURCES RES -
INST .LEXIHGTONS 1978)
UG^L 1 3 80FT> 11 HARD
24 CAPACITOR 21
REDEAR SUHFISN
BIRGE,M J ET AL RES REP0RT8110.U-
NIU KENTUCKY UATER RESOURCES RES -
INST, LEXIHGTONS 1978)
UC^L 13 9 SOFTj 0.9 HAND
25 CHLORAMIHE
FATHEAD MIWOM
ARTHUR. J W I J G EATON, J FISH R-
ES 80 CAN. 28 1841-1845 (1971)
SPAMHS/FEMALE REDUCED AT 43 U-
G^L
26 CHLORINATED SE- 9
UAGE EFFLUENT fl
9
hRTHUR.J H , r.h.anorem, u r natt-
SOH. 0 T OLSON, C EGLA68. B.J HAL-
LIGAH. 1 C T.UAL8RIDGE, EPIHW^»
NOT AMENABLE TO 8AR ANALYSIS
27 CHROMIUM I
•ROOK TROUT
BEHOIT.O A , MATER RES, 18'497-58-
8 S1976)
F8 i Fl FRY SURUIUAL REDUCED -
AT 8 39 HG^L CR
28 CHROHIUh
RAItOOM TROUT
BENOIT.D A . MATER RES, 10 497-90-
0 <1976)
NOT A REPROOUCTIUE STIOV
29 COPPER
SLLKTH08E HIHH-
OH
HORNtNG.M.B. 4 T.U.tCILHEISEL, AR-
CH ENUIROH CONTRA TOX. 8 345-WO -
(1979)
EGGS^EMALE REDUCED AT 10 UCL
See Directory of Appendix A
A-36
-------
Table A-10 (Concluded)
e
ROMWnE
1 12 13
species Ireference Iremhsks
38. COPPER
FATHEAO HtMOH
MOUNT. D I L CESTEPHAH. J FISH -
RES BO CAN. 2S'2449-2437 C 19S9)
Ft SURUIUAL REDUCED AT 18 4 U-
CL
31. COPPER
FATMMO HINNOH
NCKIM.J H. 1 OA BENOIT, J FISH R-
ES BO CAN. 28 633-662 (lf71>
Fl SURUIUAL REDUCED AT 17.8 li-
ft
32. OIAZINOH
FLAGFISH
allison,o.t. em-6ms3-77-err< i»7-
7 )
CHROHIC/FI 'G 14 U6>±i H 88 UG-
A-
33 OIISONOHYL PNT-
HALATE
CHAM4EL CATFISH
BIRGE.U J ET AL AE8. REPORTS 116, l>-
NIU KENTUCKY HATER RESOURCES RES -
INST. LEXINGTOH< 1978)
8 .42 HCL
34 01ISOHOHYL PHT-IREOEAR SUNFI8H
HALATE 1
BIRGE.H J ET AL RES REPORTS 116.U-
NIU KENTUCKY MATER RESOURCES RES -
INST. LEXINGTON* 1978)
4 .67 MCI
35 OIOCTYL PHTHAL-
ATE
1 CHANNEL CATFISH
BIRGE.U. J.ET AL RES REPORTS 118.U-
NIU KENTUCKY HATER RESOURCES RES -
INST, LEXINGTON* 197»>
8 69 MG/L
36 OIOCTYL PHTHAL-
ATE
REDEAR SUHF1SH
BIRGE.U J.ET AL RES REPORTS! 18.U-
NIV.KENTUCKY HATER RSSOURfTB RE* -
INST. LEXINGTON* 1978 >
6 18 HfL
37 OIOCTYL PHTHAL-
ATE
LARGEMOUTH MM
BIRGE.H J ET AL RE8 REPORTS 118.U-
NIU.KENTUCKY HATER RtBOURTFB RES -
INST. LEXINGTON* 1978 >
HG/L' 42 1 SOFTj 32.9 HARD
36. OIOCTYL PHTHAL-
ATE
RAIWOM TROUT
BIRGE.H J ET AL. RES. REPORTS 118. U-
HIU KENTUCKY HATER RESOURCES RES -
INST. LEXINCTOHC 1978)
MfL' 139.3 SOFT) 149.2 HARD
39 DON CORNING SCI
CHWML CATFISH
BIRGE.H J ET AL RES REPORTS! 18.U-
NIU ONTUCKY HATER RESOURCES RES -
IHST.L£X!HCTOHC 1978 >
3.16 HG/L
40 OOM CONNING Ml
REDEAR SUTISH
BIRGE.U J ET AL RE8.REP0RTS118.U-
NIU.KENTUCKY HATER RE90URCE8 RES -
INST. LEXINCTONC 1978 >
37 .79 tKA.
41 ENOOSULFAN
FATHEAO HINNOH
MACEK.K J. M A LINOBERG. S SAUTER-
, K S BUXTOH 1 P A COSTA. EPA-688-
'3-76-099 <1976)
F8 EGG 1 FRY SURUIUAL REDUCED-
AT 8 4 UC^L
4i ENORIN
GUPPY
MOUNT.0 1 BUREAU SPORT FISH, FI8-
H I WILDLIFE SERU, US OEPT INTERI-
OR 1962)
AOULTS' NO REPROO AT .3 FfB
43 ENORIN
BLUNTHOSE HI*#*-
OH
MOUNT.0 1 BUREAU SPORT FISH, FIS-
H I WILDLIFE SERU. US OEPT INTERI-
OR* 1962)
HO REPROO PER IOC EXPOSURE
44 GUTHION. CHROMI-
UM* HACL, PENTACHL-
OROPHENOL
GOLOFISH, FATH-
EAD MIMOH
AOELMAN.I R ,L L SMITH.EPA-68B/3--
76-S16A (197C)J J FISH RES SO CA-
H 33<2>' 283-288. 289-214 *1976)
NOT A FISH REPROOUCTIUE STUDY
43 fCPTACHLOR
FATJCAD HIMCM
NACEK.K J. H A LINDKRG, S 9AUTER-
. K.S.BUXTON I P A.COSTA, EPA-6SB-
3-76-B99 <1976)
F8 FRY SURUIUAL REDUCED AT 1 -
84 UG^L
46. HYDROGEN CYANl-
OE
BROOK TROUT
KOEHBT.M H.« L.L.SMITH. 1 SJ.8RE-
BANS.ENUIRON SCI TECHOL. 11'883—
887 <1979)
DATA ALREADY IN DATABASE
47. MACATHION
BLUEGILL
EATON, JG , HATER RES. 4>272-279 (1969)
-------
Appendix B
PHYSICAL PROPERTIES OF CHEMICALS AND
COMMERCIAL PRODUCTION AND USE
-------
PHYSICAL PROPERTIES OF CHEMICALS
AND COMMERCIAL PRODUCTION AND USE
The information contained in this section was obtained from the
following sources:
SRI International, Chemical Economics Handbook, Menlo Park,
California
SRI International, 1980 Directory of Chemical Producers - U.S.A.,
Menlo Park, California, 1980
Hawley, G. G. (ed.), The Condensed Chemical Dictionary, Ninth Edition,
Van Nostrand Reinhold Company, New York, 1977
Windholz, M. (ed.), The Merck Index, Ninth Edition, Merck & Company,
Inc., Rahway, New Jersey, 1976
Spencer, E. Y., Guide to the Chemicals Used in Crop Protection,
Publication 1093, Sixth Edition, Ontario, Canada, 1973
U.S. International Trade Commission, Synthetic Organic Chemicals,
U.S. Production and Sales, 1978, U.S. Government Printing Office,
Washington, D.C.
U.S. International Trade Commission, Imports of Benzenoid Chemicals
and Products, 1978, U.S. Government Printing Office, Washington, D.C.
U.S. Bureau of the Census, U.S. Imports for Consumption and General
Imports, 1978, FT 246, U.S. Government Printing Office, Washington,
D.C.
Ouellette, R. P. and J. A. King, Chemical Week, Pesticides Register,
McGraw Hill, Inc., New York, 1977
Martin, H. (ed.), Pesticide Manual, Second Edition, British Crop
Protection Council, January 1971
Berg, G. L. (ed.), Farm Chemicals Handbook, 1980, Meister Publishing
Company, Willoughby, Ohio, 1980
B-l
-------
Water Related Environmental Fate of 129 Priority Pollutants, Volumes
I, II, U.S. Environmental Protection Agency, Office of Water
Planning and Standards, Office of Water and Waste Management,
Washington, D.C., December 1979, EPA-440/4-79-029a/b
Sax, N. I., Dangerous Properties of Industrial Materials, Fourth
Edition, Van Nostrand Reinhold Company, New York, 1975
Verschueren, K., Handbook of Environmental Data on Organic. Chemicals.
Van Nostrand Reinhold Company, New York, 1977
A Study of Industrial Data on Candidate Chemicals for Testing, Research
Request No. 3, Office of Toxic Substances, U.S. Environmental
Protection Agency, June 1978, EPA 560/5-78-002
Klrk-Othmer Encyclopedia of Chemical Technology, Second and Third
Editions, John Wiley & Sons, Inc., New York, 1963-1979
Kent, J.A. (ed.), Riegel's Handbook of Industrial Chemistry, Seventh
Edition, Van Nostrand Reinhold Company, New York, 1974
Chemical Technology: An Encyclopedic Treatment, Volume IV, Harper
& Row Publishers, Inc., New York, 1972
The Supply of Drugs to the U.S. Illicit Market from Foreign and
Domestic Sources in 1978 (with projections for 1979-82), The
National Narcotics Intelligence Consumers Committee, Washington, D.C.
IARC Monographs on the Evaluation of the Carcinogenic Risk of
Chemicals to Humans, Volumes 1-20, World Health Organization,
International Agency for Research on Cancer, Lyon, France,
1972-1979
Weast, R. C. (ed.), CRC Handbook of Chemistry and Physics, 58th
Edition, CRC Press, Inc., Cleveland, Ohio, 1977-1978
Leo, A., Pomona College Data Base for Medicinal Chemistry, Pomona
College, Claremont, California, June 1978
Hodges, L., Environmental Pollution, Holt, Reinhart and Winston,
Inc., New York, 1973
Chemical Marketing Reporter, Schnell Publishing Company, Inc.,
New York, New York, (various years when pertinent)
Current Industrial Reports, U.S. Department of Commerce, Bureau
of the Census, Washington, D.C.
B-2
-------
Mineral Industry Surveys, U.S. Department of the Interior, Bureau
of Mines, Washington, D.C.
Minerals Yearbook, U.S. Department of the Interior, Bureau of Mines,
Washington, D.C., preprint from 1977
SRI International, Chemical Origins and Markets, Fifth Edition,
Menlo Park, California, 1977.
The compounds covered in this section are separated into two
classes (organics and inorganics) and are ordered by CAS number as
follows:
Organic Chemicals B-4
Inorganic Chemicals B-108
B-3
-------
ORGANIC CHEMICALS
B-5
-------
SODIUM NITRILOACETATE
CH2—COONa
\ s>\
^c—ch2 ch2—Cv
Class: Miscellaneous CAS No. 10042-84-9 Na0 0Na
Structural Class: Miscellaneous
Physical and Chemical Properties (NTA, nitrilotriacetic acid)
Boiling Point: no data
Melting Point: 230-235°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 128 g/L at 22.5°C
Log octanol/water Partition Coefficient: no data
Producers:
Of nitrilotriacetic acid, trisodium salt:
Dow Chemical U.S.A., Freeport, TX
W. R. Grace & Co., Industrial Chemicals Group, Organic Chemicals
Division, Nashua, NH
Of nitrilotriacetic acid:
W. R. Grace & Co., Industrial Chemicals Group, Organic Chemicals
Division, Nashua, NH
Monsanto Co., Monsanto Industrial Chemicals Co., Chocolate Bayou, TX
U.S. Production: Commercial production of nitrilotriacetic acid, trisodium
salt, was reported to the U.S. International Trade Commission in 1978 by
W. R. Grace & Company (Organic Chemicals Division), implying that annual
production was greater than 5,000 pounds; however, production figures are
not available. Commercial production of nitrilotriacetic acid (NTA) was
reported to the U.S. International Trade Commission in 1978 by W. R. Grace
& Company (Organic Chemicals Division) and by Monsanto Company, implying
that annual production was greater than 10,000 pounds; however, it has been
recently reported that Monsanto and W. R. Grace produce about 75 million
pounds of NTA annually, of which 65 million pounds is exported to Canada
and Europe, with the remainder being used domestically.
Imports: No data available.
B-7
-------
Uses: NT A is an efficient: general-purpose chelating agent, used in
many applications but especially where control of water hardness is
desired. NTA was one of the first substitutes for sodium tripolyphosphate
in detergents. However, because of questionable safety, it was
voluntarily suspended as a builder by the detergent industry in 1970.
Recently, the Environmental Protection Agency has said it will not
object to resumed use of NTA-built detergents.
NTA is one of many aminopolycarboxylic acids that can be used as
chelating agents for soap and cleaning compounds; water treatment;
agriculture; photography; textiles; metal cleaning and electroplating;
pulp and paper; rubber processing; food, pharmaceuticals, and cosmetics;
and miscellaneous chemical processing.
B-8
-------
4-BROMOPHENYL phenyl ether
Class: Miscellaneous CAS No. 101-55-3 Br
Structural Class: Halogenated aromatics
Physical and Chemical Properties
Boiling Point: 310.14°C at 760 mm Hg
Melting Point: 18.72°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 0.0015 mm Hg at 20°C
Water Solubility: no data
Log octanol/water Partition Coefficient: 4.28
Producers: No producers were identified in the 1980 Directory of Chemical
Producers-U.S.A.
U.S. Production: Commercial production of 4-bromophenyl phenyl ether was
not reported to the U.S. International Trade Commission in 1978.
U.S. Imports: No data available.
Use: No information was found on the uses of 4-bromophenyl phenyl ether.
B-9
-------
1,4-DICHLOROBENZENE
CI
Class: Miscellaneous CAS No. 106—46—7
Structural Class: Halogenated aromatics
CI
Physical and Chemical Properties
Boiling Point: 173.4°C
Melting Point: 53°C
Refractive Index: (n^0) 1.5285
Specific Gravity: 1.458 at 20/4 C
Vapor Pressure: 0.6 mm Hg at 20°C; 1.8 mm Hg at 30°C
Water Solubility: 79 mg/L at 25°C
Log octanol/water Partition Coefficient: 3.39
Producers:
Dow Chemical U.S.A., Midland, MI
Monsanto Co., Monsanto Chemical Intermediates Co., Sauget, IL
PPG Industries, Inc., Chemicals Group, Chemical Div.-U.S.,Natrium,
WV
Specialty Organics, Inc., Irwindale, CA
Standard Chlorine Chemical Co., Inc., Delaware City, DE, and Kearny, NJ
U.S. Production: Commercial production was 41.2 million pounds in 1978.
U.S. Imports: Imports of 1,4-dichlorobenzene in 1978 (through principal
U.S. customs districts) amounted to 140,213 pounds.
Consumption: Domestic consumption is currently estimated at 40-45 million
pounds. The consumption pattern has been estimated as follows: 55% for use
as a space deodorant, 35% as a moth control agent, and 10% for miscellaneous
other uses (e.g., for the production of dyes and insecticides).
B-10
-------
2,4-DIMETHYLPHENOL
OH
Class: Miscellaneous CAS No. 106-67-9
CH3
Structural Class: Phenols
Physical and Chemical Properties
OH 3
Boiling Point: 210.93°C at 760 mm Hg
Melting Point: 24.54°C
Refractive Index: 1.5420
Specific Gravity: 1.036 at 20/4°C
Vapor Pressure: 0.0621 mm Hg (as a supercooled liquid)
"Water Solubility: 17,000 mg/L at 160°C
Log octanol/water Partition Coefficient: 2.50
Producers:
Aldrich Chemical Co., Inc., Milwaukee, WI
Conoco Inc., Conoco Chemicals Co., Division, Newark, NJ
Ferro Corp., Productol Chemical Division, Santa Fe Springs, CA
Stimson Lumber Co., Northwest Petrochemical Corp., division, Anacortes, WA
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: Data not available.
Use Pattern: 2,4-Dimethylphenol is a chemical intermediate in the manufacture
of phenolic antioxidants. It is also used in the manufacture of
pharmaceuticals, plastics, resins, disinfectants, solvents, insecticides,
fungicides, rubber chemicals, and dyestuffs.
B-ll
-------
1,2-DICHLOROETHANE
Class: Miscellaneous CAS No. 107-06-2 C1CH2CH2C1
Structural Class: Halogenated alkyl aliphatlcs and alicyclics
Physical and Chemical Properties
Boiling Point: 83.5°C
Melting Point: -35.4°C
Refractive Index: 1*4448
Specific Gravity: 1.25 at 20/4°C
Vapor Pressure: 40 mm at 10°C; 61 mm at 20°C; 105 mm at 30°C
Water Solubility: 8,690 mg/L at 20°C; 9,200 mg/L at 0°C
Log octanol/water Partition Coefficient: 1.48
Stability: Hydrolyzes slowly to ethylene glycol at ambient temperatures,
and rapidly under mildly acidic conditions (pH 4) at 160°C.
Producers:
Conoco Inc., Conoco Chemicals Co. Div., Lake Charles, LA
Diamond Shamrock Corp., Industrial Chemicals and Plastics Unit,
Electro Chemicals Div., Deer Park and La Porte, TX
Dow Chemical U.S.A., Freeport, TX; Oyster Creek, TX; and Plaquemine, LA
Ethyl Corp., Chemicals Group, Baton Rouge, LA, and Pasadena, TX
The BF Goodrich Co., BF Goodrich Chemical Division, Calvert City, KY
ICI Americas Inc., Petrochemicals Division, Baton Rouge, LA
PPG Industries, Inc., Chemicals Group, Chemical Division-U.S.,
Lake Charles, LA
Shell Chemical Co., Deer Park, TX, and Norco, LA
Stauffer Chemical Co., Plastics Division, Carson, CA; Polymers,
Long Beach, CA
Union Carbide Corp., Chemicals and Plastics Division, Taft, LA, and
Texas City, TX
Vulcan Materials Co., Chemicals Division, Geismar, LA
U.S. Production: Commercial production was 11,000.6 million pounds in 1978.
U.S. Imports: Data not available.
B-12
-------
Consumption: U.S. consumption in 1978 is estimated to have been
12,590.6 million pounds. The consumption pattern has been estimated
as follows:
Million
Pounds
10,971.4 for production of vinyl chloride
479.6 for production of 1,1,1-trichloroethane
310.2 for production of ethyleneamines
224.4 for production of vinylidene chloride
213.4 for production of perchloroethylene
206.8 for production of trichloroethylene
173.8 as a lead scavenger
11 for miscellaneous uses (e.g., production of adhesives
and coatings, extracting oil from seeds, processing
pharmaceuticals, treating animal fats, textile cleaning,
cleaning equipment used in PVC production, as an
intermediate in production of polysulfide elastomers, and
for grain fumigants).
B-13
-------
METHYLMERCURIC CHLORIDE
Class: Miscellaneous CAS No. 115-09-3 CH3—Hg—CI
Strue tural Class: Organometallics
PIrys 1 ca 1 and Chemical Properties
Boiling Point: volatile at 100°C
Melting Point: 170°C
Refractive Index: no data
Specific Gravity: (d) 4.063
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: 0.62
Producer:
Strem Chemicals, Inc., Newburyport, MA
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: No data
Use Pattern: No information was found on the uses of methylmercuric chloride.
B-14
-------
AFLATOXIN B1
Class: Miscellaneous CAS No. 1162-65-8
Structural Class: Miscellaneous
Physical and Chemical Properties 11 I IIII
Boiling Point: no data
Melting Point: 268-269°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: no data
Producers: No producers of aflatoxin B1 were identified.
U.S. Production: No commercial production was reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: No data available.
Use: No uses for aflatoxin B1 were found in the sources searched.
Aflatoxin Bl is a secondary fungal metabolite and occurs naturally
at very small concentrations in many vegetables, especially those with
high moisture content. Aflatoxins are extremely toxic and are known
carcinogens.
B-15
-------
HEXACHLOROBENZENE
Class: Miscellaneous CAS No. 118-74-1
CI
CI
Structural Class: Halogenated aromatics
CI
CI
Physical and Chemical Properties ^ N ^
Boiling Point: 323-326°C
Melting Point: 231°C
Refractive Index: no data
Specific Gravity: 2.044 at 23°C
Vapor Pressure: 1.089 x 10 mm Hg at 20°C
Water Solubility: 6 pg/L (at 25°C), measured by radioassay
Log octanol/water Partition Coefficient: 6.18
Stability: Stable to hydrolysis at room temperature.
Producers: No producers of hexachlorobenzene were identified in the
1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production of hexachlorobenzene was not
reported to the U.S. International Trade Commission In 1978.
U.S. Imports: Imports of hexachlorobenzene in 1978 (through principal
U.S. customs districts) amounted to 882,194 pounds.
Use: Hexachlorobenzene Is reportedly used as a grain fungicide and in the
manufacture of pentachlorophenol and aromatic fluorocarbons. It Is also
a by-product or waste material in the production of chlorine and a number
of chlorinated organic chemicals, e.g., perchloroethylene; trichloroethylene;
carbon tetrachloride; dimethyl tetrachloroterephthalate; vinyl chloride;
the herbicides atrazine, propazine, and simazine; pentachloronitrobenzene;
and mirex. It has been estimated that the total waste and by-product
hexachlorobenzene produced from the above was 2.4-4.9 million pounds in 1972.
B-16
-------
2,4,6-TRINITROTOLUENE
CH
Class: Miscellaneous CAS No. 118-
Structural Class: Nitroaromatic
Physical arid Chemical Properties:
Boiling Point: 240°C
Melting Point: 80.1°C
Refractive Index: crystals:
(for sodium
light)
Specific Gravity: (d£°) 1.654
Vapor Pressure: mm Hg °C
0.053 at 85
0.106 at 100
2 at 190
50 at 245-250
Water Solubility: Very sparingly soluble (^0.01% at 25°C);
1 g/700 ml boiling water; 0.013 g/100 g at 20°C
Log octanol/water Partition Coefficient: no data
Producers: No commercial producers of 2,4,6-trinitrotoluene were found
in the 1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: 5,323,923 pounds in 1978.
Uses: 2,4,6-Trinitrotoluene is mainly used as a secondary high explosive
(i.e., it must be detonated by a high-velocity initiator or by
efficient concussion) for military and commercial purposes, such as
weaponry, mining, and civil engineering. It is reportedly useful as an
intermediate in the production of dyestuffs and photographic chemicals.
1.6742
B-17
-------
1,2,4-TRICHLOROBENZENE
CI
Structural Class: Halogenated aromatics
Class: Miscellaneous CAS No. 120-82-1
CI
Physical and Chemical Properties
CI
Boiling Point: 213°C
Melting Point: 17°C
Refractive Index: 1.5524
Specific Gravity: (dll) 1.4634
Vapor Pressure: 1 n® Hg at 38.4°C
Water Solubility: 30 ing/L at 25°C
Log octanol/water Partition Coefficient: 4.26
Dow Chemical U.S.A., Midland, MI
PPG Industries, Inc., Chemicals Group, Chemical Division-U.S.,
Natrium, WV
Standard Chlorine Chemical Co., Inc., Delaware City, DE
U.S. Production: Commercial production was reported to the U.S. International
Trade Commission in 1978 by Dow Chemical Co. and Standard Chlorine of
Delaware, Inc.; although production figures are not available, reporting
by two producers implies annual production of greater than 10,000 pounds.
U.S. Imports: Data not available.
Uses: 1,2,4-Trichlorobenzene has limited uses as a solvent and as a dye
carrier in the textile industry.
Producers:
B-18
-------
2,4-DINITROTOLUENE
CH3
Class: Miscellaneous CAS No. 121-14-2
NO 2
Structural Class: Nitroaromatics
Physical and Chemical Properties
NO 2
Boiling Point: 300°C
Melting Point: 70°C
Refractive Index: 1.442
Specific Gravity: 1.521 at 15°C
Vapor Pressure: 0.0013 mm Hg at 59°C
Water Solubility: 270 mg/L at 22°C
Log octanol/water Partition Coefficient: 2,01
Producers:
Air Products and Chemicals, Inc., Industrial Gases Division, Pasadena, TX
Allied Chemical Corp., Chemicals Co., Moundsville, WV
E. I. du Pont de Nemours and Co., Inc., Chemicals, Dyes and Pigments
Dept., Deepwater, NJ
Rubicon Chemicals Inc., Geismar, LA
Mbbay Chemical Corp., Polyurethane Division, Cedar Bayou, TX, and
New Martinsville, WV
U.S. Production: Commercial production of 2,4-dinitrotoluene was reported to the
U.S. International Trade Commission in 1978 by Allied Chemical Corp. (Specialty
Chemicals Division), E. I. duPont de Nemours and Co., Inc., and Rubicon
Chemicals Inc., implying that annual production was greater than 15,000 pounds;
however, actual production figures are not available. Commercial production
of mixtures of 2,4- and 2,6-dinitrotoluene in 1978 was 655.9 million pounds.
U.S. Imports: No information was available.
Use: 2,4-Dinitrotoluene is produced by the nitration of toluene. The reaction
product contains at least 76% 2,4-dinitrotoluene; the remainder is mostly
2,6-dinitrotoluene, with small amounts of 2,3- and 3,4-dinitrotoluene and
some unreacted toluene and nitrotoluene. This reaction product is used to
make the corresponding diamine isomer mixture and, finally, several variations
of toluene diisocyanate containing different contents of the 2,4- and 2,6-
isomers. Dinitrotoluenes (isomers unspecified) are also used as dye
intermediates and as waterproofing agents in explosives.
B-19
-------
MALATHION
rv n S 0
CH3 0 || ||
Class : Pesticides CAS No. 121-75-5 —S—CHC—0—CH2CH3
CH30 I
Subclass: Insecticides 2jj ^ CH2CH3
0
Structural Class: (Thio)phosphates
Physical and Chemical Properties
Boiling Point: 156°-157°C/0 . 7 mm, with slight decomposition
Melting Point: 2.85°C
Refractive Index (n^) : 1.4985
Specific Gravity (d^) : 1.23
Vapor Pressure: 4.0 x 10 ^ mm Hg at 30°C
Water Solubility: 145 ppm (at room temperature)
Log octanol/water Partition Coefficient: 2.89
Stability: Stable in aqueous solution buffered at pH 5.26, but rapidly
hydrolyzed at pH above 7.0 or below 5.0.
Producers:
American Cyanamid Company, Agricultural Division, Linden, New Jersey
Prentiss Drug and Chemical Company, Inc., Newark, New Jersey
Consumption: U.S. consumption in 1978 is estimated to have been 15.1
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
2.7 for cotton
2.0 for aquatic use
1.6 for home and garden use
1.4 for lawns/turf
1.4 for vegetables
1.1 for livestock/poultry
0.7 for alfalfa
0.7 for ornamentals
B-20
-------
0.5 for tobacco
0.5 for commercial/household and industrial establishments
0.2 for citrus fruits
0.2 for corn
0.2 for sorghum
0.2 for soybeans
0.2 for deciduous fruits/nuts
0.1 for wheat
1.4 for field crops not previously mentioned
U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission in 1978 by the American Cyanamid Company;
however, production figures are not available.
U.S. Imports: Data not available.
B-21
-------
RDX; CYCLOTRIMETHYLENETRINITRAMINE
0
N
Class: Miscellaneous CAS No. 121-82-4
N
Structural Class: Miscellaneous
CH2
0
N
N
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 205-206°C
Refractive Index: no data
20
Specific Gravity d, : 1.82
4
Vapor Pressure: no data
Water Solubility: negligible
Log octanol/water Partition Coefficient: no data
Producers: No producers were identified in the 1980 Directory of
Chemical Producers-U.S.A.
U.S. Production: Commercial production of RDX was not reported to the
U.S. International Trade Commission in 1978.
U.S. Imports: No data
Uses: RDX is used as a high energy explosive for bursting charges and
plastic explosives and is also incorporated into high-performance
rocket propellants.
B-22
-------
FENITROTHION
Class: Pesticides CAS No. 122-14-5
CH3—0
S
Subclass: Insecticides
CH3—0
Structural Class: Organophosphate
Physical and Chemical Properties
CH3
Boiling Point: bP^ 118°C
Melting Point: no data
25
Refractive Index: rL 1.5528
25
Specific Gravity: d^ 1.3227
Vapor Pressure: 6 x 10 mm Hg at 20°C
Water Solubility: practically insoluble in water (about 0.002%)
Log octanol/water Partition Coefficient: 3.38
Stability: Hydrolyzed by aqueous alkali.
Producer:
Mount Pleasant Chemical Company, Mount Pleasant, Tennessee
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: Imports of fenitrothion through principal U.S. customs
districts amounted to 115,190 pounds in 1978.
Use: Fenitrothion finds use as a general purpose insecticide for
agricultural and public health uses. It is used to control flies,
mosquitoes, and pests of rice, orchards, vegetables, cereals and
cotton.
B-23
-------
TETRACHLOROETHYLENE
Clv CI
/C=CX
CI CI
Class: Miscellaneous CAS No. 12 7-18-4
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physlcal and Chemical Properties
Boiling Point: 121.4°C
Melting Point: -22.7°C
Refractive Index: 1-5053
Specific Gravity: 1.626 at 20°C
Vapor Pressure: 14 mm Hg at 20°C; 24 mm Hg at 30°C; 45 mm Hg at 40°C
Water Solubility: 150 mg/L at 25°C
Log octanol/water Partition Coefficient: 2.88
Stability: Tetrachloroethylene resists hydrolysis at temperatures up to
150°C. In the absence of catalysts, air, or moisture, it is stable to
about 500°C.
Producers:
Diamond Shamrock Corp., Industrial Chemicals and Plastics Unit,
Electro Chemicals Division, Deer Park, TX
Dow Chemical U.S.A., Freeport, TX; Pittsburg, CA; and Plaquemine, LA
E. I. du Pont de Nemours and Co., Inc., Petrochemicals Dept., Freon
Products Division, Corpus Christi, TX
Ethyl Corp., Chemicals Group, Baton Rouge, LA
PPG Industries, Inc., Chemicals Group, Chemical Division-U.S.,
Lake Charles, LA
Stauffer Chemical Co., Industrial Chemical Division, Louisville, KY
Vulcan Materials Co., Chemicals Division, Geismar, LA, and Wichita, KS
U.S. Production: Commercial production of tetrachloroethylene was 725.5
million pounds in 1978.
U.S. Imports: No data
B-24
-------
Use Pattern: The major application for tetrachloroethylene is in
dry cleaning. Approximately 80% of all dry cleaners use it as their
primary cleaning agent. It is also used in the vapor degreasing and
cold cleaning of metals, in textile processing and finishing, and as
a chemical intermediate in the manufacture of several fluorocarbons.
The estimated use pattern for 1976 is as follows:
dry cleaning
textile processing
metal degreasing
fluorocarbon manufacture
66%
13%
13%
3%
miscellaneous and exports
5%
B-25
-------
CHLORAMHIE-B
(N-Chlorobenzenesulfonamido)-sodium
Class: Miscellaneous CAS No. 127-52-6
<
Structural Class: Miscellaneous
Chloramine-B (C5H5S02NClNa) forms white crystals that decompose on
heating to about 170°C. It is soluble in water and alcohol, stable in
dry air, and may be blended with acid and neutral salts to give stable
mixtures that have been used to disinfect dairies. The available
chlorine content is 29.5%.
No other information was found on chloramine-B.
B-26
-------
CHLORAMINE-T
(N-Chloro-4-methylbenzenesulfonamide sodium salt)
Class: Miscellaneous CAS No. 127-65-1
Structural Class: Miscellaneous
CH 3
0
Na
CI
Physical and Chemical Properties: Chloramine-T (C7H7ClNNa02S) occurs as
white crystals, which may be dried without decomposition at 90-100°C.
It is soluble in water and insoluble in organic solvents. The
available chlorine content is 24-25%. Solutions of chloramine-T
decompose slowly in air and under the influence of light. Chloramine-T
does not liberate chlorine from acid solutions and does not chlorinate
substances that are attacked by hypochlorite.
Use: Chloramine-T was introduced in 1916 as a germicide for the
treatment of wounds; it was the first chloramine to meet market
acceptance. It may be blended with other bactericides for better action.
Chloramines are no longer employed for the irrigation of wounds or as
antiseptics, but are used in the emergency sterilization of drinking
water and for sanitization.
B-27
-------
PHOSPHAMIDON
Class: Pesticides CAS No. 13171-21-6 q ^ p-j n
+ I I II
Subclass: Insecticides CH30—P—OC C C—N(C2H5) 2
y
0CH3
Structural Class: Organophosphate
Physical and Chemical Properties
Boiling Point: bp^ 162°C; bp^ 120°C
Melting Point: no data
25
Refractive Index: n^ 1.4718
Specific Gravity: d^ 1.2132
Vapor Pressure: 2.5 x 10 mm Hg at 20°C
Water Solubility: miscible with water
Log octanol/water Partition Coefficient: 1.06
Stability: Stable in neutral or acid media; hydrolyzed by alkali.
Producers:
No producers were identified in the 1980 Directory of Chemical
Producers - U.S.A.
Consumption: U.S. consumption in 1978 is estimated to have been 0.3
million pounds for agricultural markets. The consumption pattern has
been estimated as follows:
Million
Pounds
0.1 for citrus
0.1 for cotton
0.1 for deciduous fruits/nuts
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: Data not available. It has been reported that phosphamidon
is imported into the U.S. from Switzerland by one company.
B-28
-------
CAPTAN
Class: Pesticides
CAS No. 133-06-2
NSCClg
Subclass: Fungicides
Structural Class: Miscellaneous organic
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 175°C
Refractive Index: no data
Specific Gravity (d): 1.74
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: 2.35
Producers:
Standard Oil Company of California, Chevron Chemical
Company, subsidiary, Ortho Agricultural Chemicals Division,
Perry, Ohio
Stauffer Chemical Company, Calhio Chemicals, Inc., subsidiary,
Perry, Ohio
Consumption: U.S. consumption in 1978 is estimated to have been 11.0
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
3.1 for apples
3.1 for other deciduous fruits
2.3 for seed treatment of field crops
1.4 for home and garden use
0.4 for vegetables
0.1 for seed treatment of vegetables
0.6 for other field crops not previously mentioned
B-29
-------
U.S. Production: Commercial production of captan was reported to the
U.S. International Trade Commission in 1978 by Stauffer Chemical
Company (Agricultural Division), Calhio Chemicals, Inc., and one other
unidentified producer; however, production figures are not available.
U.S. Imports: Data not available.
B-30
-------
NIFURPIRINOL (Furanace)
Class: Miscellaneous CAS No. 13411-16-0
H0-CH2
Structural Class: Nitroaromatic
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 170-171°C
Refractive Index: no data
Specific Gravity: n° data
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: no data
Producers: No producers of nifurpirinol were identified in the
1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: no data
Use: Nifurpirinol is reportedly used as an antibacterial agent in human
medicine and in fish diseases.
B-31
-------
KEPONE
CI
\
CI
CI
CI
.CI
c1
Class: Pesticides CAS No. 143-50-0
CI
\
CI
Subclass: Insecticides
CI Cl
Structural Class: Halogenated bicyclic aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: no data
Melting point: decomposes at 350°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: <3 x 10 ^ mm Hg at 25°C
Water Solubility: practically insoluble in water (0.4% at 100°C)
Log octanol/water Partition Coefficient: not available
U.S. Producers/Production/Imports: Kepone has not been produced in the
U.S. since July 1975, but was formerly produced by Allied Chemical
Corporation.
Between 1968 and 1974, 1.6 million pounds of kepone were produced by
one company and 1.7 million pounds by another plant, which operated for
18 months before it closed down in late July 1975. Until August 1,
1976, kepone was registered in the U.S. as an insecticide for use on
bananas, nonbearing citrus trees, tobacco, and ornamental shrubs and
for control of insects that attack structures.
B-32
-------
CARBOFURAN
Class: Pesticides CAS No. 1563-66-2
Subclass: Insecticides
Structural Class: Carbamates
Physical and Chemical Properties
OCNHCH 3
Boiling Point: no data
Melting Point: 150-152°C
Refractive Index: no data
20
Specific Gravity ^20^'
Vapor Pressure: 2.0 x 10 ^ mm Hg at 33°C
Water Solubility: 700 ppm at 25°C
Log octanol/water Partition Coefficient: no data
Stability: Stable under neutral or acid conditions; unstable in
alkaline media.
Producer :
FMC Corporation, Agricultural Chemical Division £ Furadan^J ,
Middleport, New York
Consumption: U.S. consumption in 1978 is estimated to have been 16.0
million pounds for the agricultural market. The consumption pattern
has been estimated as follows:
Million
Pounds
14.0 for corn
1.4 for alfalfa
0.3 for tobacco
0.3 for other field crops
U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission in 1978 by FMC Corporation, Agricultural
Chemical Division; however, production figures are not available.
U.S. Imports: Data not available.
B-33
-------
TRIFLURALIN
CF3
Class: Pesticides CAS No. 1582-09-8
Subclass: Herbicides
02N'
Y N0*
N(CH2CHaCH3)2
Structural Class: Aromatic and heterocyclic amines
Physical and Chemical Properties
Boiling Point: 96-97 C at 0.18 mm Hg
Melting Point: 48.5 -49°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 1.99 x 10 ^ mm Hg at 29.5°C
Water Solubility: <1 ppm at 27°C
Log octanol/water Partition Coefficient: no data
Stability: Trifluoromethyl groups attached to aromatic rings are
hydrolyzed to acids only under extreme laboratory conditions. Stable
in pure state, although is susceptible to photochemical decomposition.
Producer:
/tj
Eli Lilly and Company, Tippecanoe Laboratories [Treflan _] ,
Lafayette, Indiana
Consumption: U.S. consumption in 1978 is estimated to have been 28.8
million pounds for agricultural crop markets and nonagricultural
crop markets. The consumption pattern has been estimated as follows:
Million
Pounds
21.3 for soybeans
6.0 for cotton
0.6 for vegetables
0.2 for industrial/commercial use
0.2 for peanuts
0.1 for deciduous fruits/nuts
0.1 for sugar beets
0.3 for field crops not previously mentioned
B-34
-------
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Eli Lilly and Company, and
Sandoz Inc. (Crop Protection Department); however, production figures
are not available.
U.S. Imports: Data not available.
B-35
-------
5-CHLOROURACIL
Class: Miscellaneous CAS No. 1820-81-1
CI
Structural Class: Ureides
The only information on physical properties found was
octanol/water partition coefficient of -0.35.
No information was found on the uses of this compound.
B-36
-------
ATRAZINE
Class: Pesticides CAS No. 1912-24-9
Subclass: Herbicides
CI
Structural Class: Aromatic and heterocyclic amines
N(CH2CH3)
H
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 171-174°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 3.0 x 10~7 mm Hg at 20°C
Water Solubility: 33 ppm at 25°C
Log octanol/water Partition Coefficient: 0.81
Stability: Stable in slightly acidic or basic media; hydrolyzed to
inactive hydroxy derivative by alkali or mineral acids.
Producer:
Ciba-Geigy Corporation, Agricultural Division [AAtrex^^l
Farmland Industries, Inc., Farmers Chemical Company, subsidiary,
St. Joseph, Missouri
Shell Chemical Company, Mobile, Alabama
Vertac Chemical Corporation, Vicksburg, Mississippi
Consumption: U.S. consumption in 1978 is estimated to have been 84.4
million pounds for agricultural crop and nonagricultural crop markets.
The consumption pattern has been estimated as follows:
Million
Pounds
73.4 for corn
6.7 for grain sorghum
1.8 for industrial/commercial use
0.5 for pasture/rangeland
2.0 for other field crops
[Atratol^]
, St. Gabriel, Louisiana
B-37
-------
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Ciba-Geigy Corporation
(Agricultural Division), Farmland Industries, Inc., Shell Oil
Company (Shell Chemical Company Division), and Vertac.Inc.; however,
production figures are not available.
U.S. Imports: Data not available.
B-38
-------
PICLORAM
nh2
Class: Pesticides CAS No. 1918-02-1 CI
ci ^^n^^cooh
Subclass; Herbicides
Structural Class: Miscellaneous organic
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 218-219°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 6.16 x 10 ^ mm Hg at 35°C;
1.07 x 10 ^ mm Hg at A5°C
Water Solubility: 0.043 g/100 ml at 25°C
Log octanol/water Partition Coefficient: no data
Stability: Photodegrades; low volatility.
Producer:
Dow Chemical U.S.A. pordon^^J , Freeport, Texas
Consumption: U.S. consumption in 1978 is estimated to have been 0.2
million pounds for industrial/commercial use.
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Dow Chemical Company;
however, production figures are not available.
U.S. Imports: Data not available.
B-39
-------
MIREX
Class: Pesticides CAS No. 2385-85-5
Subclass: Insecticides
Structural Class: Halogenated bicyclic
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 485°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 3 x 10 ^ mm at 25°C
Water Solubility: practically insoluble
Log octanol/water Partition Coefficient: no data
Stability: Very stable at normal temperatures but decomposes above
485°C to give hexachlorobenzene and other products.
Producers:
Occidental Petroleum Corporation, Hooker Chemical Corporation,
subsidiary, Specialty Chemicals and Products Group, Specialty
Chemicals Division, Niagara Falls, New York
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978. It is estimated that at least
496,000 pounds of technical-grade mirex were produced in the U.S. before
1967 by one company.
U.S. Imports: No data available.
Use: The only known use of mirex is as an insecticide. Its major
application is believed to have been in the control of fire ants in
the Southern United States. It has reportedly also been used against
Western harvester ants and the mealybug of pineapple in the U.S. and
against leaf cutters and harvester termites in other countries. In
October 1976, the EPA announced a plan to phase out the use of mirex
for the control of the fire ant in the Southern U.S. and to ban its
use in the U.S. by July 1, 1978. The EPA approved the use of a
B-40
-------
product (containing mirex as the active ingredient) to control fire
ants in Mississippi through June 30, 1979. If the state wishes to
continue its use, an application must be filed before that time.
B-41
-------
DIAZINON
OC,H
Class: Pesticides CAS No. 333-41-5
C2H50—P
Subclass: Insecticides '
Structural Class: (Thio)phosphates
Physical and Chemical Properties
Boiling Point: 83-84°C at 0.002 mm Hg
Melting Point: no data
20
Refractive Index (n_ ): 1.4978-1.4981
20
Specific Gravity (d, ): 1.116-1.118
-4 o
Vapor Pressure: 1.4 x 10 mm Hg at 20 C
1.1 x 10 ^ mm Hg at 40°C
6.6 x 10 ^ mm Hg at 60°C
Water Solubility: 40 ppm at 20°C
Log octanol/water Partition Coefficient: no data
Stability: Stable in alkaline media, but slowly hydrolyzed by water and
dilute acids. Decomposes above 120°C and is susceptible to oxidation.
Producers:
Ciba-Geigy Corporation, Agricultural Division [Galecron J,
Mcintosh, Alabama
Prentiss Drug and Chemical Company, Inc., Newark, New Jersey
Consumption: U.S. consumption in 1978 is estimated to have been 7.5
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
1.5 for corn
1.2 for lawns/turf
0.8 for alfalfa
0.7 for home and garden use
0.5 for commercial/household and industrial establishments
0.5 for deciduous fruits/nuts
0.4 for vegetables
B-42
-------
0.1 for cotton
0.1 for sorghum
0.1 for wheat
0.1 for ornamentals
1.5 for other field crops not previously mentioned
U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission in 1978 by Ciba-Geigy Corporation (Agricul-
tural Division); however, production figures are not available.
U.S. Imports: Imports of diazinon (through principal U.S. customs
districts) amounted to 35,280 pounds in 1978.
B-43
-------
3-TRIFLUOROMETHYL-4-NITROPHENOL
Class: Miscellaneous CAS No. 393-11-3
OH
Physical and Chemical Properties
Structural Class: Phenol
CF 3
Boiling Point: no data
N02
Melting Point: 76°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: no data
Producers: No commercial producers of 3-trifluoromethyl-4-nitrophenol
were found "in the 1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: No data.
Use: 3-Trifluoromethyl-4-nitrophenol is reportedly used to exterminate
lampreys, especially in the Great Lakes area of the United States, It
is placed in tributary streams, where it kills the lamprey larvae.
B-44
-------
FORMALIN (formaldehyde solution)
Class: Miscellaneous CAS No. 50-00-0
0=CHa
Structural Class: Miscellaneous
Physical and Chemical Properties
Boiling Point:
Melting Point:
Refractive Index:
-19.5°C at 760 mm Hg
-92°C
no data
Formaldehyde
no data
Formalin
96°C at 760 mm Hg
(n*°) 1.3746
(d^) 1.081-1.085
Specific Gravity:
(d"J°) 0.815
Vapor Pressure:
Water Solubility:
no data
Very soluble in
water up to 55%
no data
miscible with water
Log octanol/water
Partition Coefficient:
-0.96
Stability: Formalin may become cloudy on standing; at very low temperatures,
a precipitate of trioxymethylene is formed. Slowly oxidizes to formic
acid in air.
Producers (formaldehyde):
Borden Inc., Borden Chem. Div., Adhesives and Chem., Div. - East,
Demopolis, Alabama; Diboll, Texas; Fayetteville, North Carolina;
Louisville, Kentucky; and Sheboygan, Wisconsin; Adhesives and Chems.
Div. - West, Fremont, California; Kent, Washington; LaGrande, Oregon;
Missoula, Montana; and Springfield, Oregon; Petrochems., Geismar,
Louisiana
Celanese Corp., Celanese Chem. Co., Inc., Bishop, Texas; Newark,
New Jersey; and Rock Hill, South Carolina
E. I. du Pont de Nemours & Co., Inc., Chems., Dyes and Pigments Dept.,
Belle, West Virginia; Grasselli, New Jersey; Healing Springs, North
Carolina; La Porte, Texas; and Toledo, Ohio
GAF Corp., Chem. Products, Calvert City, Kentucky; Texas City, Texas
Georgia-Pacific Corp., Chem. Div., Albany, Oregon; Columbus, Ohio;
Coos Bay, Oregon; Crossett, Arkansas; Lufkin, Texas; Russellville,
South Carolina; Taylorsville, Mississippi; and Vienna, Georgia
B-45
-------
Producers (formaldehyde): (cont.)
Getty Oil Co., Chembond Corp., subsidiary, Andalusia, Alabama;
Springfield, Oregon; and Winnfield, Louisiana
Gulf Oil Corp., Gulf Oil Chems. Co., Indust. Chems. Div., Vicksburg,
Mississippi
Hercules, Inc., Louisiana, Missouri
Internat'l. Minerals & Chem. Corp., IMC Chem. Group, Indust. Chems.,
Div., Seiple, Pennsylvania
Monsanto Co., Monsanto Plastics & Resins Co., Addyston, Ohio;
Chocolate Bayou, Texas; Eugene, Oregon; and Springfield, Massachusetts
Occidental Petroleum Corp., Hooker Chem. Corp., subsidiary, Plastics
Group, Durez Div., North Tonawanda, New York
Reichhold Chems. Inc., Hampton, South Carolina; Houston, Texas;
Kansas City, Kansas; Malvern, Arkansas; Moncure, North Carolina;
Tacoma, Washington; Tuscaloosa, Alabama; and White City, Oregon
Tenneco Inc., Tenneco Chems. Inc., Fords, New Jersey and Garfield,
New Jersey
Univar Corp., Pacific Resins & Chems. Inc., subsidiary, Eugene, Oregon
Wright Chem. Corp., Acme, North Carolina
U.S. Production: Commercial production of formalin (formaldehyde, 37% by
weight) in 1978 was 6,381 million pounds.
U.S. Imports: Imports of formaldehyde (including solutions) amounted to
2,439,019 pounds in 1978.
Consumption: U.S. consumption of formaldehyde in 1978 was 6,411 million
pounds. The consumption pattern has been estimated as follows:
Million
Pounds
3,831 for plastics and resins
1,415 for intermediate use
1,164 for miscellaneous uses
B-46
-------
DDT (p,p'~ and o,p'-isomers)
f/ \
Class: Pesticides CAS No. 50-29-3
Subclass: Insecticides
Structural Class: Halogenated arylalkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 185°C (p,p'~)
Melting Point: 108.5-109.0°C (p,p'-);
74-74.5°C (o,p'-)
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 1.9 x 10 ^ mm Hg at 25°C (p,p'~);
5.5 x 10 ^ mm Hg at 30°C (o,p'~)
Water Solubility: 5.5 ppb (p,p'-);
26 ppb (o,p'—)
Log octanol/water Partition Coefficient: 3.98 (5.76, 6.19, 3.76,
4.96, 6.11 also reported)
Stability: Unstable in the presence of alkalies. Extremely nonvolatile.
Producer:
Montrose Chemical Corporation of California, Torrance, California
U.S. Production: Commercial production of DDT was reported to the U.S.
International Trade Commission in 1978 by Montrose Chemical Corporation
of California; however, production figures are not available.
U.S. Imports: Data not available.
Use Pattern: Registration of DDT for nearly all uses in the U.S.
(except emergency public health uses and a few other uses permitted
on a case basis) has been cancelled since the end of 1972. Most
DDT now manufactured is exported.
B-47
-------
THALIDOMIDE
°W /
H
Class: Miscellaneous CAS No. 50-35-1
,N-
^ N
0
Structural Class: Ureides ^
Physical and Chemical Properties: Thalidomide is sparingly soluble in
water, has a melting point range of 269-271°C, and a log octanol/water
partition coefficient of 0.33.
Use: Thalidomide was formerly used overseas as a sedative, but
eventually became the most notorious teratogen known to man. The drug
was not permitted on the U.S. market and is available in the U.S. only
for extremely restricted investigational use.
B-48
-------
2,4-DINITROPHENOL
OH
Class: Miscellaneous CAS No. 51-28-5
Structural Class: Phenols
Physical and Chemical Properties
Boiling Point: Sublimes
Melting Point: 112-114°C
Refractive Index: no data
Specific Gravity: 1.683 at 24°C
Vapor Pressure: no data
Water Solubility: 5,600 mg/L at 18°C
Log octanol/water Partition Coefficient: 1.53
Producers:
Martin Marietta Corp., Martin Marietta Chemicals, Sodyeco Division,
Sodyeco, NC
Mobay Chemical Corp., Dyestuff Division, Industrial Chemicals Division,
Bush Park, SC
U.S. Production: Commercial production of technical grade 2,4-dinitrophenol
was reported to the U.S. International Trade Commission in 1978 by the above
two producers, implying that annual production was greater than 10,000 pounds;
however, actual production figures are not available.
TT.S. Imports: No information was available.
nae Pattern: Used for the production of sulphur and azo dyes, insecticides,
photographic chemicals, and—to a lesser extent—explosives.
B-49
-------
1,3-DICHLOROBENZENE
Class: Miscellaneous CAS No. 541-73-1
CI
Physical and Chemical Properties
Structural Class: Halogenated aromatics
CI
Boiling Point: 173°C
Melting Point: -24.76°C
Refractive Index: (np°) 1*5459
Specific Gravity: (d") 1.2884; (d*3) 1.2828
Vapor Pressure: 2.28 mm Hg at 25°C
Water Solubility: 123 mg/L at 25°C
Log octanol/water Partition Coefficient: 3.38
Stability: Hydrolysis is not likely in ambient waters due to difficulty
with which aryl halides undergo nucleophilic substitutions.
Producers: No producers were identified in the 1980 Directory of
Chemical Producers-U.S.A.
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: Imports in 1978 (through principal U.S. customs districts)
amounted to 106,021 pounds.
Use Pattern: 1,3-Dichlorobenzene has many potential uses and a number of
patents cover its production, but only very limited commercial production
has been reported to date.
B-50
-------
THIMEROSAL
Class: Pesticides CAS No. 54-64-8
S-Hg-C2H5
Structural Class: Organophosphate
Subclass: Fungicide
.COONa*
Physical and Chemical Properties
Boiling Point: no data
Melting Point: no data
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 1 g/1 ml 1^0
Log octanol/water Partition Coefficient: no data
Stability: Stable in air but not in sunlight. Solutions can be stabilized
with ethylenediamine tetraacetic acid.
Producers:
Aceto Chemical Company, Inc., Flushing, New York
Atomergic Chemetals Corporation, Plainview, New York
Polychemical Labs, Inc., Bronx, New York
U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission by Eli Lilly and Company in 1978, implying that
annual production was greater than 1,000 pounds.
U.S. Imports: Imports through principal U.S. customs districts amounted
to 165 pounds in 1978.
Use: Thimerosal is used as a topical anti-infective in human medicine
and as a topical antibacterial and antifungal in veterinary medicine.
It is also used as a bacteriostat and fungistat.
B-51
-------
NITROGLYCERINE
CH2-O-NO2
I
CH-O-NO2
Class: Miscellaneous CAS No. 55-63-0 J,„ „
CH2-0-N02
Structural Class: Miscellaneous
Physical and Chemical Properties
Boiling Point: 260°C (explodes)
Melting Point: 3-13°C
Refractive Index: (nD°) 1*4786
Specific Gravity: (dj?) 1.599
Vapor Pressure: 0.00025 mm Hg at 20°C
Water Solubility: 1,800 mg/L at 20°C
Log octanol/water Partition Coefficient: 2.04 (2.06 and 1.89 also reported)
Producers:
E. I. du Pont de Nemours and Co., Inc., Petrochemicals Dept., Polymer
Intermediates Dept., Martinsburg, WV
Hercules, Inc., Bessemer, AL
United States Army, Badger Army Ammunition Plant, Baraboo, WI
U.S. Production: Commercial production of nitroglycerine was not reported
to the U.S. International Trade Commission in 1978.
U.S. Imports: Data not available.
Use: Nitroglycerine is primarily used as an explosive in dynamites and a
plasticizer for nitrocellulose in double- and multibase propellants. It
is readily soluble in many organic solvents and acts as a solvent for many
explosive ingredients.
B-52
-------
CARBON TETRACHLORIDE
CI
I
Cl-C-Cl
I
Class: Miscellaneous CAS No. 56-23-5 CI
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 76.7°C
Melting Point: -22.6°C
Refractive Index: (n^°): 1.4607
Specific Gravity: (d"): 1.589
Vapor Pressure: 100 mm Hg at 23.0°C
Water Solubility: 1 ml/2000 ml
Log octanol/water Partition Coefficient: 2.64
Producers:
Allied Chemical Corp., Chemicals Co., Moundsvllle, WV
Dow Chemical U.S.A., Freeport, TX; Pittsburg, CA; and Plaquemine, LA
E. I. du Pont de Nemours & Co., Inc., Petrochemicals Dept., Freon®
Products Dlv., Corpus Chrlstl, TX
Stauffer Chemical Co., Industrial Chemical Dlv., Le Moyne, AL, and
Louisville, KY
Vulcan Materials Co., Chemicals Dlv., Geismar, LA, and Wichita, KS
II.S. Production: Commercial production was 737.0 million pounds in 1978.
TT-S. Imports: 8.9 million pounds in 1978.
fiongumption: U.S. consumption in 1977 is estimated to have been 785 million
pounds. The consumption pattern has been estimated as follows:
Million
Pounds
476 for production of fluorocarbon 12 (dlchlorodifluoromethane)
247 for production of fluorocarbon 11 (trichlorofluoromethane)
62 for other uses (e.g., as a metal degreasing solvent, as a grain
fumlgant, In pesticides, and as an Intermediate for other fluorocarbons).
B-53
-------
1,3-DICHLOROPROPENE
C1X ?
Class; Pesticides CAS No. 563-57-5 ^C=C-CH2-C1
H
Subclass: Fumigants
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 104°C (cis);
112°C (trans)
Melting Point: no data
20
Refractive Index (n^ ): 1.4730 (cis);
1.4682 (trans)
Specific Gravity: (d) 1.22
Vapor Pressure: 25 torr at 20°C
Water Solubility: 2,700 mg/L (cis).
2,800 mg/L (trans)
Log octanol/water Partition Coefficient: 1.98
Producer:
Dow Chemical U.S.A. [Telone^1 , Freeport, Texas
Consumption: U.S. consumption of 1,2-dichloropropene in 1978 is esti-
mated to have been 23.5 million pounds for agricultural crop markets
and nonagricultural markets. The consumption pattern has been
estimated as follows:
Million
Pounds
5.5 for potatoes (white)
4.5 for sugar beets
2.8 for tobacco
2.2 for cotton
1.2 for tomatoes
0.8 for deciduous fruits and nuts
0.5 for floral crops and ornamentals
0.5 for miscellaneous soil fumigation
0.4 for citrus
j both at 25°C
B-54
-------
0.1 for governmental and institutional use
0.1 for peanuts
2.2 for vegetables other than potatoes and tomatoes
1.6 for fruits and nuts other than citrus fruits and deciduous
fruits and nuts
1.1 for field crops not mentioned above
U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission in 1978 by Dow Chemical Company; however,
production figures are not available.
U.S. Imports: No data.
B-55
-------
MALACHITE GREEN
N(CH3)2
Physical and Chemical Properties
Class: Miscellaneous CAS No. 569-64-2
Structural Class; Aromatic amine
Boiling Point: no data
Melting Point: 102°C
N+(CH3)aCl
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: very soluble
Log octanol/water Partition Coefficient: 0.62
Producers:
American Cyanamid Co., Organic Chemicals Div., Bound Brook, NJ
BASF Wyandotte Corp., Colors and Fine Chemicals Group, Colors and
Auxiliaries Div., Rensselaer, NY
Dye Specialties, Inc., Jersey City, NJ
U.S. Production: Commercial production of malachite green was reported to
the U.S. International Trade Commission in 1978 by American Cyanamid Co.,
BASF Wyandotte Corp., and Dye Specialties, Inc., implying that annual
production was greater than 15,000 pounds; however, actual production
figures are not available.
U.S. Imports: Imports through principal U.S. customs districts in 1978
amounted to 217,541 pounds.
Use: Malachite green is a dye (C.I. Basic Green 4; C.I. 42000) used mainly
for directly dyeing silk, wool, jute and leather. It is also used for
dyeing cotton after mordanting, as a biological stain, and as a spot-test
reagent for detecting sulfurous acid and cerium. Therapeutically,
malachite green is a topical antiseptic.
B-56
-------
CI
CI
Class: Pesticides CAS No. 57-74-0
CHLORDANE
CI
CI
CI
Subclass; Insecticides
CI
Structural Class: Halogenated bicyclic aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 175°C (2 mm)
Melting Point: 107.0-108.8°C (cis);
103.0-105.0°C (trans)
Refractive Index (n^); 1.56-1.57
Specific Gravity (d ^):1.59-1.63
Vapor Pressure: 1.0 x 10"^ mm Hg at 25°C
Water Solubility: 1.85 ppm at 25°C;
Log octanol/water Partition Coefficient: 2.78
Stability: Loses chlorine in presence of alkaline reagents.
Producer:
Northwest Industries, Inc., Velsicol Chemical Corporation,
subsidiary, Marshall, Illinois
Consumption: U.S. consumption in 1978 is estimated to have been 10.0
million pounds for the agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
9.5 for commercial/household and industrial establishments
0.2 for home and garden use
0.2 for ornamentals
0.1 for deciduous fruits/nuts
Chlordane is to be phased out of use in the U.S. over a five-year
period ending in mid-1983.
, U.S. Production: Commercial production was reported to the U.S. Inter-
national Trade Commission in 1978 by Velsicol Chemical Corporation;
however, production figures are not available.
]J.S. Imports: Data not available.
0.056 ppm at 25°C
B-57
-------
CI
LINDANE
Class: Pesticides CAS No. 58-89-9
Subclass: Insecticides CI
Structural Class; Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 323.4°C
Melting Point: 112.9°C
Refractive Index: no data
Specific Gravity: 1.85
_6 Q
Vapor Pressure: 9.4 x 10 mm Hg at 20 C
Water Solubility: 2.15 ppm at 15°C;
6.8-7.8 ppm at 25°C;
11.4 ppm at 35°C
Log octanol/water Partition Coefficient: 3.72
Stability: Hydrolysis half-life at pH 8: 180 days (calculated^in 76%
ethanol at 20.11°C. Reasonably stable in aquatic environment with
half-lives greater than several months at the least. Unstable in the
presence of alkali, producing trichlorobenzenes and hydrochloric acid.
Stable to air, light, heat, and carbon dioxide. Unattacked by strong
acids.
Producers:
Occidental Petroleum Corporation, Hooker Chemical Corporation,
subsidiary, Hooker Chemicals and Plastics Corporation, subsidiary»
Electrochemical and Specialty Chemicals Division fHGI^J,
Niagara Falls, New York
Prentiss Drug and Chemical Company, Inc., Newark, New Jersey
Consumption: U.S. consumption in 1978 is estimated to have been 0.7
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
.CI
'CI
B-58
-------
Million
Pounds
0.2 for livestock/poultry
0.1 for ornamentals
0.1 for forests
0.3 for unspecified field crops
U.S. Production; Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports; Imports of lindane (through principal U.S. customs
districts) amounted to 603,913 pounds in 1978.
B-59
-------
2,3-DINITROTOLUENE
CH3
no2
Class: Miscellaneous CAS No. 602-01-7 Iv.
N02
Structural Class: Nitroaromatics
Physical arid Chemical Properties: no data
Producers: No producers of 2,3-dinitrotoluene were identified in
the 1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production of 2,3-dinitrotoluene was not
reported to the U.S. International Trade Commission in 1978.
U.S. Imports: No data
Uses: No specific uses of 2,3-dinitrotoluene were found; however, the
nitration product of toluene contains at least 76% of 2,A-dinitrotoluene,
and the remainder is mostly 2,6-dinitrotoluene with small amounts of
2,3-dinitrotoluene, 3,4-dinitrotoluene, unreacted toluene, and
nitrotoluene. This nitration product is used in the manufacture of
toluene diisocyanate (TDI), an intermediate in the manufacture of
polyurethane foams.
B-60
-------
cygon(r)
ch2oJ J
Class: Pesticides CAS No. 60-51-5 P-SCH2C-NHCH3
CH3
-------
DIELDRIN
CI
Class: Pesticides CAS No. 60-57-1
Subclass: Insecticides
0
CI
CI
CI
Structural Class: Halogenated bicyclic aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 175-176°C
Refractive Index: no data
Specific Gravity: (d) 1.75
Water Solubility: Approx. 200 ppb at 25°C
Log octanol/water Partition Coefficient: 4.56
Stability: Stable to alkali, to mild acids, and to light. The epoxide
ring is unusually stable, but reacts with anhydrous HBr to give the
bromohydrin.
Producers:
No producers of dieldrin were identified.
U.S. Production: Commercial production of dieldrin was not reported to
the U.S. International Trade Commission in 1978. The insecticide was
formerly produced by Shell Oil Company, but production was discontinued
due to cancellation of EPA registration for most of dieldrin's uses.
U.S. Imports: Data not available.
Use Pattern: Dieldrin was used for control of soil insects, termites,
and many other pests; however, EPA registrations for these uses have
been cancelled in the U.S.
Vapor Pressure: 1.78 x 10 ^ mm Hg
2.8 x 10 ^ mm Hg
both at 20°C
B-62
-------
PENTACHLOROBENZENE
CI
Class: Miscellaneous CAS No. 608-93-5
Structural Class: Halogenated aromatics
CI
CI
CI
CI
CI
Physical and Chemical Properties
Boiling Point: 276°C
Melting Point: 85°C
Refractive Index: no data
Specific Gravity: 1.8422
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: no data
Producers: No producers were identified in the 1980 Directory of
Chemical Producers-U.S.A.
U.S. Production: Commercial production of pentachlorobenzene was not
reported to the U.S. International Trade Commission in 1978.
U.S. Imports: No data
Use: No information was found on the uses of pentachlorobenzene.
B-63
-------
NAPHTHALENE
Class: Miscellaneous CAS No. 61-14-3
Structural Class: Alkyl and polycyclic aromatlcs
Physical and Chemical Properties
Boiling Point: 217.96°C (760 mm)
Melting Point: 80.2°C
/ 100,
Refractive Index: (nQ ) 1.58212
Specific Gravity: (dj?^) 1*162
Vapor Pressure: 0.0492 mm Hg at 20°C
Water Solubility: 30 mg/L
Log octanol/water Partition Coefficient: 3.37
Stability/Solubility: Sublimes appreciably at temperatures above the melting
point. Very soluble in diethyl ether, in hydronaphthalenes, and in
fixed and volatile oils.
Producers:
Allied Chemical Corp., Chemicals Co., Detroit, MI, and Ironton, OH
Ashland Oil, Inc., Ashland Chemical Co., division, Petrochemicals Div.,
Ashland, KY
Getty Oil Co., Getty Refining and Marketing Co., subsidiary, Delaware
*
City, DE
Koppers Co., Inc., Organic Materials Group, Cicero, IL, and Follansbee, WV
Monsanto Co., Monsanto Chemical Intermediates Co., Chocolate Bayou, TX
United States Steel Corp., USS Chemicals, division, Clairton, PA, and
Gary, IN
U.S. Production; Commercial production of naphthalene from coal-tar and
petroleum is estimated to have been 535 million pounds in 1978.
Joint venture with the Union Chemicals Division of Union Oil Company
of California
B-64
-------
U.S. Imports: Imports of naphthalene are estimated to have been 12 million
pounds in 1978.
Consumption: U.S. consumption of naphthalene (captive and merchant) in
1978 is estimated to have been 490 million pounds. The consumption
pattern has been estimated as follows:
Million
Pounds
290 for production of phthalic anhydride
97 for production of the insecticide 1-naphthyl N-methylcarbamate (Sevin )
37 for production of 3-naphthol
29 for production of synthetic tanning agents
10 as a moth repellant
5 for production of surface-active agents
10 for miscellaneous intermediate uses
12 of imported naphthalene used for the above purposes
B-65
-------
PHENYLMERCURIC ACETATE
Class: Pesticides CAS No. 62-38-4
Subclass: Herbicide, fungicide
Structural Class: Organometallic
Hg-0-C-CH3
0
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 149°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 9 x 10 ^ mm Hg at 35°C
Water Solubility: soluble in 600 parts water
Log octanol/water Partition Coefficient: no data
Stability: Very stable.
Producers:
W.A. Cleary Corporation, Somerset, New Jersey
Merck and Company, Inc., Hawthorne, New Jersey
Troy Chemical Corporation, Newark, New Jersey
U.S. Production: Commercial production in 1978 was 184,000 pounds.
U.S. Imports: Imports of phenylmercuric acetate through principal U.S.
customs districts in 1978 amounted to 6,614 pounds.
Use: Pnenylmercuric acetate is reportedly used as an antiseptic, a
fungicide, and a herbicide (especially for crabgrass); as a mildewcide
for paints; and as a slimicide in paper mills.
B-66
-------
SEVIN (Carbaryl)
Class: Pesticides CAS No. 63-25-2
Subclass: Insecticides
Carbamates
,CH,
C-N.
H
Structural Class:
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 145°C
Refractive Index: no data
20
Specific Gravity (d2^): 1.232
Vapor Pressure: 0.002 mm Hg at 40°C
Water Solubility: 40 ppm at 30°C
Log octanol/water Partition Coefficient: 2.36
Stability: Stable to heat, light, and acids; hydrolyzed in alkalies.
Producer :
Union Carbide Corporation, Chemicals and Plastics, division,
Institute, West Virginia
Consumption: U.S. consumption in 1978 was estimated to have been 23.3
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
4.0 for soybeans
3.9 for corn
2.5 for home and garden use
2.5 for vegetables
2.2 for deciduous fruits/nuts
1.5 for forests
0.5 for tobacco
0.4 for cotton
0.3 for alfalfa
B-67
-------
0.3 for lawns/turf
0.3 for livestock/poultry
0.2 for commercial/household and industrial establishments
0.2 for ornamentals
0.2 for citrus fruits
0.2 for sorghum
0.1 for wheat
4,0 for field crops not previously mentioned
U.S. Production; Commercial production was reported to the U.S.
International Trade Commission in 1978 by the Union Carbide Corporation
and Agricultural Products Company; however, production figures are not
available.
U.S. Imports: Data not available.
B-68
-------
1,2,3,4-TETRACHLOROBENZENE
Cl
Structural Class: Halogenated aromatics
Class: Miscellaneous CAS No. 634-66-2
Cl
Cl
Physical and Chemical Properties ^
Boiling Point: 254.9°C at 760 mm Hg
Melting Point: 46.0°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 0.16-0.36 mg/L (no specific isomer)
Log octanol/water Partition Coefficient: no data
Producers: No producers were identified in the 1980 Directory of
Chemical Producers-U.S.A.
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: No data available.
Uses: 1,2,3,4-Tetrachlorobenzene has been reportedly used as a setting-point
depressant in transformer oil, and has been proposed as a component in
fire-resistant compositions. Tetrachlorobenzene (unspecified isomer) is
used In the manufacture of pesticides, in dielectric fluids, and as an
impregnant for moisture resistance.
B-69
-------
TOLBUTAMIDE
Class: Miscellaneous CAS Ho. 64-77-7 HsC SO.-NH-cl-NH-(CH,) 3CH,
Structural Class: Miscellaneous
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 128.5°-l29.5°C
Refractive Index: no data
Specific Gravity: (d2s) 1.245
Vapor Pressure: no data
Water Solubility: slightly soluble
Log octanol/water Partition Coefficient: 2.34
Producer:
The Upjohn Co., Fine Chemical Division, Kalamazoo, MI
U.S. Production: Commercial production of tolbutamide was reported to the
U.S. International Trade Commission in 1978 by the above company, implying
that annual production was greater than 1,000 pounds; however, actual
production figures are not available.
U.S. Imports: Imports of tolbutamide in 1978 (through principal U.S.
customs districts) amounted to 43,976 pounds.
Use: Tolbutamide is an oral hypoglycemic drug that is useful in the
treatment of selected cases of diabetes mellitus.
B-70
-------
HEXACHLOROETHANE
Miscellaneous CAS No. 67-72-1 C13C—CC13
—-raI class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 186°C
Melting Point: sublimes at 185°C
Refractive Index: no data
Specific Gravity: 2.09 at 20/4®C
Vapor Pressure: 0.4 mm Hg at 20°C; 0.8 mm Hg at 30°C
Water Solubility: 50 tng/L at 22cC
Log octanol/water Partition Coefficient: 3.34
Stability: Hexachloroethane is unreactive with aqueous alkali and acid
at moderate temperatures.
Producers:
Hummel Chemical Co., Inc., South Plainfield, NJ
U.S. Production: Commercial production of hexachloroethane was not
reported to the U.S. International Trade Commission in 1978.
U.S. Imports: 1.7 million pounds in 1978.
Use Pattern: Hexachloroethane can be used to formulate extreme-pressure
lubricants; e.g., lubricating oils containing 0.02-3.0 wt% (as halogen) of
hexachloroethane reduce the abrasion of exhaust valve seats in internal
combustion engines. It has been suggested as a degasifier in the
manufacture of aluminum and magnesium metals and it has been used as a
chain transfer agent in the radiochemical emulsion preparation of
propylene-tetrafluoroethylene copolymer. Other uses of hexachloroethane are
as a moth repellent, a plasticizer for cellulose esters, an anthelmintic
in veterinary medicine, a rubber accelerator, and a component in fungicidal
and insecticidal formulations.
B-71
-------
ENDRIN
ocT I I CCi1
^CH | CH |
rn 1
2
Class: Pesticides CAS No. 72-20-8
CH'
CCI
Subclass: Insecticides
Structural Class: Halogenated bicyclic aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: no data
Water Solubility: 0.25-0.26 ppm at 25°C
Log octanol/water Partition Coefficient: 5.6 (calc.)
Stability: Stable to mild alkali; highly unstable to acids and acidic
cidal derivative.
Producer:
Northwest Industries, Inc., Velsicol Chemical Corporation,
subsidiary, Memphis, Tennessee
Consumption: U.S. consumption in 1978 is estimated to have been 0.4
million pounds for the agricultural market — 0.3 million pounds for
cotton, and 0.1 million pounds for other field crops.
In July 1979 the EPA published its intent to cancel existing
registrations of pesticide products containing endrin and to
deny new applications for registration.
U.S. Production: Commercial production of endrin was reported to the
U.S. International Trade Commission in 1978 by Velsicol Chemical
Corporation; however, production figures are not available.
U.S. Imports: Data not available.
Melting Point: 235°C, with decomposition
Refractive Index: no data
Specific Gravity: no data
Vapor pressure: 2.0 x 10 ^ mm Hg at 25°C
material. Heating above 200°C causes rearrangement to a less insect
B-72
-------
METHOXYCHLOR
Class: Pesticides CAS No. 72-43-5 CH30—(f \)—c—(/ ^V-OCH.
Subclass: Insecticides
Structural Class: Halogenated arylalkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 78-78.2°C or 86-88°C
Melting Point: 89°C (pure)
Refractive Index: no data
Specific Gravity (d^) : 1.41
Vapor Pressure: no data
Water Solubility: O.lmg/Lat 25°C
Log octanol/water Partition Coefficient: 3.31 (4.30 also reported)
Stability: Resistant to oxidation and heat.
Producers:
Chemical Formulators, Inc., Chemical Division, Nitro, West Virginia
E.I. du Pont de Nemours and Company, Inc., Biochemicals Department,
[Marlate
00j
, Linden, New Jersey
Prentiss Drug and Chemical Company, Inc., Newark, New Jersey
Consumption: U.S. consumption in 1978 is estimated to have been 3.7
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
1.0 for home and garden use
0.5 for livestock/poultry
0.5 for commercial/household and industrial establishments
0.5 for forests
0.3 for vegetables
0.3 for alfalfa
0.2 for deciduous fruits/nuts
0.2 for soybeans
0.2 for ornamentals
B-73
-------
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Chemical Formulators, Inc.,
and E.I. du Pont de Nemours and Company, Inc. However, production
figures are not available.
U.S. Imports: Imports of methoxychlor (through principal U.S. customs
districts) amounted to 17,637 pounds in 1978.
B-74
-------
TRYPAN BLUE (C.I. Direct Blue 14)
Class: Miscellaneous CAS No. 72-57-1
Structural Class: Miscellaneous
Physical and Chemical Properties
Boiling Point: no data
Melting Point: no data
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 2% at room temperature
Log octanol/water Partition Coefficient: no data
Producer: In 1978, C.I. Direct Blue 14 (Trypan Blue) was manufactured by
Toms River Chemical Corp.
Production: Commercial production of Trypan Blue was reported to the U.S.
International Trade Commission in 1978 by Toms River Chemical Corp.,
implying that annual production was greater than 5,000 pounds; however,
production figures are not available.
Imports; Data not available.
Uses: Trypan Blue is reportedly useful in the dyeing of cellulose, leather,
and paper and as a biological stain. It has been used in the treatment of
sleeping sickness.
N=N'
N=N'
NH2 OH
OH NH
CH
B-75
-------
1,1-PICHLOROETHYLENE
Class: Miscellaneous CAS No. 75-35-4 J-1 L 2
LX
Structural Class: Halogenated alkyl aliphatics and allcyclics
Physical and Chemical Properties
Boiling Point: 31.9°C
Melting Point: -122.5°C
Refractive Index: (n£)°) 1»4249
Specific Gravity: 1.218 at 20/4°C
Vapor Pressure: 500 mm Hg at 20°C; 591 mm Hg at 25°C; 720 mm Hg at 30°C
Water Solubility: 400 mg/L at 20°C
Log octanol/water Partition Coefficient: 1.48
Producers:
Dow Chemical U.S.A., Freeport, TX, and Plaquemine, LA
PPG Industries, Inc., Chemicals Group, Chemical Division-U.S.,
Lake Charles, LA
U.S. Production: Commercial production of 1,1-dichloroethylene (vinylidene
chloride) was reported to the U.S. International Trade Commission in 1978
by Dow Chemical Company and PPG Industries, Inc., Implying that annual
production was greater than 10,000 pounds; however, actual production
figures are not available. It has been estimated that in 1978 approximately
179 million pounds were produced (this estimate includes only end-product
1,1-dichloroethylene and does not include 1,1-dichloroethylene used as an
intermediate for 1,1,1-trichloroethane, for which no production estimate
was found).
U.S. Imports: Imports of 1,1-dichloroethylene amounted to 1,764 pounds in 1978.
Use Pattern: 1,1-Dichloroethylene is consumed chiefly in the manufacture of
polyvinylidene chloride copolymers. The major commercial copolymer is
polyvinylidene chloride/vinyl chloride (Saran), which is used primarily for
food packaging films. 1,1-Dichloroethylene is also used as a comonomer for
barrier coatings for paper and paper board, and as a comonomer in the
production of some modacrylic fibers.
B-76
-------
PENTACHLOROETHANE
Class: Miscellaneous CAS No. 76-01-7 Cl2CH-CCl3
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 161-162°C
Melting Point: -29°C
Refractive Index: 1*5054
Specific Gravity: (d*s) 1.6712
Vapor Pressure: 3.3 mm Hg at 20°C
Water Solubility: 0.05 g/100 mL H20 at 20°C
Log octanol/water Partition Coefficient: no data
Stability; Pentachloroethane is slowly hydrolyzed by water at normal
temperatures and oxidized in the presence of light to give trichloroacetyl
chloride.
Producers: No producers of pentachloroethane were identified in the
1980 Directory of Chemical Producers-U.S.A.
U.S. Production: Commercial production of pentachloroethane was not
reported to the U.S. International Trade Commission in 1978.
U.S. Imports: No data
Uses: Pentachloroethane is a good solvent for cellulose acetate, certain
cellulose ethers, and natural gums and resins, but its high toxicity
has discouraged these uses. Pentachloroethane is still used as an
intermediate in some tetrachloroethylene processes.
B-77
-------
HEPTACHLOR
CI CI
Class: Pesticides CAS No. 76-44-8
Subclass: Insecticides
CI
CI
Structural Class: Halogenated bicyclic
CI
Physical and Chemical Properties
Boiling Point: 135-145°C at 1-1.5 mm
Melting Point: 95-96°C (pure);
46-74°C (technical 72%)
Refractive Index: no data
Specific Gravity: 1.57-1.59
—A o
Vapor Pressure: 3 x 10 mm Hg at 25 C
Water Solubility: insoluble in water
Log octanol/water Partition Coefficient: 5.05
Stability: Stable in daylight, air, moisture, and moderate heat (160°C).
Northwest Industries, Inc., Velsicol Chemical Corporation,
subsidiary, Memphis, Tennessee
Consumption: U.S. consumption in 1978 is estimated to have been 1.3
million pounds for agricultural markets. The consumption pattern has
been estimated as follows:
Million
Pounds
0.1 for citrus
1.0 for corn
0.2 for unspecified field crops
The EPA has cancelled most uses of heptachlor and the product is to be
phased out over a five-year period ending in mid-1983.
U.S. Production: Commercial production in 1978 was reported to the
U.S. International Trade Commission by Velsicol Chemical Corporation.
U.S. Imports: Data not available.
Producer:
B-78
-------
1,2-PICHLOROPROPANE
f1 p
Class: Miscellaneous CAS No. 78-87-5 CH2-CH-CH3
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 96.8°C at 760 mm Hg
Melting Point: -100°C
Refractive Index: 1.4388
Specific Gravity: (dzj) 1.159
Vapor Pressure: 42 mm Hg at 20°C
Water Solubility: 2,700 mg/L at 20°C
Log octanol/water Partition Coefficient: 2.28
Stability: Hydrolysis is catalyzed by base.
Producers:
BASF Wyandotte Corp., Industrial Chemicals Group, Basic Chemicals
Division, Wyandotte, MI
Dow Chemical U.S.A., Freeport, TX, and Plaquemine, LA
Olin Corp., Olin Chemicals Group, Brandenburg, KY
U.S. Production; Commercial production amounted to 74.1 million pounds
in 1978.
U.S. Imports: No information available.
®
Use Pattern: 1,2-Dichloropropane is a component of the soil fumigants D-D
(U.S. consumption of D-D was 39.5 million pounds in 1978 for agricultural
®
crop markets and nonagricultural markets) and Vorlex (U.S. consumption of
Vorlex was 4.0 million pounds in 1978 for agricultural crop markets and
nonagricultural markets). It is also reportedly used as an oil and fat
solvent and in drycleaning fluids.
B-79
-------
1,1,2-TRICHLOROETHANE
C1\
^CH-CHjCl
Class: Miscellaneous CAS No. 79-00-5 ^
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 114°C
Melting Point: -35°C
Refractive Index: 1*4714
Specific Gravity: 1.44 at 20/4°C
Vapor Pressure: 19 mm Hg at 20°C; 32 mm Hg at 30°C; 40 mm Hg at 35°C
Water Solubility: 4,500 mg/L at 20cC
Log octanol/water Partition Coefficient: 2.17
Stability: Hydrolysis: t, is 6 months in dark or light.
'i
Producers:
Dow Chemical U.S.A., Freeport, TX
R.S.A. Corp., Ardsley, NY
U.S. Production: Commercial production was reported to the U.S. International
Trade Commission in 1978 by Dow Chemical Co., implying that annual production
was greater than 5,000 pounds; however, production figures are not available.
U.S. Imports: No data
Uses: The principal use of 1,1,2-trichloroethane is as an intermediate
in the production of 1,1-dichloroethylene. It is also used in limited
applications where its high solvency for chlorinated rubbers Is needed.
B-80
-------
1,1,2,2-TETRACHLOROETHANE
CI CI
I I
H—C—C—H
I I
Class: Miscellaneous CAS No. 79-34-5 C1 C1
Structural Class: Halogenated alkyl allphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 146.4°C
Melting Point: -43.8°C
Refractive Index: 1*4940
Specific Gravity: 1.60 at 20/4°C
Vapor Pressure: 5 mm Hg at 20°C; 8.5 mm Hg at 30°C
Water Solubility: 2,900 mg/L at 20°C
Log octanol/water Partition Coefficient: 2.56
Producer:
Occidental Petroleum Corp., Hooker Chemical Corp., subsidiary,
Industrial Chemicals Group, Operations Division, Taft, LA
U.S. Production: Commercial production of 1,1,2,2-tetrachloroethane was
reported to the U.S. International Trade Commission in 1978 by Hooker
Chemical Corp., implying that annual production was greater than 5,000
pounds; however, production figures are not available.
U.S. Imports: Imports of tetrachloroethane (unspecified) were 505,820
pounds in 1978.
Use: The only major use of 1,1,2,2-tetrachloroethane is as an intermediate
in the manufacture of trichloroethylene, tetrachloroethylene, and
1,2-dichloroethylene. It Is an excellent solvent but is highly toxic.
B-81
-------
TOXAPHENE
Class: Pesticides CAS No. 8001-35-2
Subclass: Insecticides
Structural Class: Halogenated aromatic
CH3
CH3
CH3
CH;
"CI,
Physical and Chemical Properties (of toxaphene mixture)
Boiling Point: decomposes at >120°C
Melting Point: 70-95°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 0.2 mm Hg to 0.4 mm Hg at 25°C
Water Solubility: about 3 ppm;
0.74 ppm;
0.5 ppm;
all at 25°C
Log octanol/water Partition Coefficient: 3.3 + 0.4
Stability: Dehydrochlorinates in the presence of alkali with prolonged
exposure to sunlight, and at temperatures about 155°C.
Producers:
Hercules Inc., Brunswick, Georgia
Vertac Chemical Corporation, Vicksburg, Mississippi
Consumption: U.S. consumption in 1978 is estimated to have been 36.3
million pounds for agricultural and nonagricultural markets. The
consumption pattern has been estimated as follows:
Million
Pounds
28.0 for cotton
2.4 for livestock/poultry
2.0 for vegetables
1.7 for soybeans
0.4 for corn
0.3 for wheat
B-82
-------
0.2 for sorghum
1.3 for field crops not previously mentioned
U.S. Production: Commercial production was 40.4 million pounds in 1978.
U.S. Imports: No data available.
B-83
-------
NITROBENZENE
Class: Miscellaneous CAS No. 81-20-9 V__y—N°2
Structural Class: Nitro-aromatics
Physical and Chemical Properties
Boiling Point: 210°-211°C
Melting Point: 6°C
Refractive Index: 1*5529
Specific Gravity: (d") 1-205
Vapor Pressure: 0.15 mm Hg at 20°C; 0.35 mm Hg at 30°C
Water Solubility: 1,900 mg/L at 20°C; 8,000 mg/L at 80°C
Log octanol/water Partition Coefficient: 1.85
Producers:
American Cyanamid Co., Organic Chemicals Div., Bound Brook, NJ, and
Willow Island, WV
E.I. du Pont de Nemours and Co., Inc., Chemicals, Dyes and Pigments
Dept., Beaumont, TX, and Gibbstovm, NJ
First Mississippi Corp., First Chemical Corp., subsidiary, Pascagoula, MS
Mobay Chemical Corp., Polyurethane Division, New Martinsville, WV
Rubicon Chemicals Inc., Geismar, LA
U.S. Production: Commercial production in 1978 was 575.5 million pounds.
U.S. Imports: Imports in 1978 (through principal U.S. customs districts)
amounted to 82,890 pounds.
Consumption: In 1979, it was reported that approximately 97-98% of the
nitrobenzene produced is used in the manufacture of aniline. The remainder
is used as a solvent for cellulose ethers, as a selective solvent in the
petroleum industry, and in the manufacture of dichloroaniline.
B-84
-------
n-BUTYL BENZYL PHTHALATE
0
Class: Miscellaneous CAS No. 85-68-7
II
C—0— ch2
Structural Class: Phthalates
o—ch2(ch2)2ch3
Physical and Chemical Properties IJ
Boiling Point: 370°C
Melting Point: <-35°C
Refractive Index: no data
Specific Gravity: (dls) 1.116
Vapor Pressure: no data
Water Solubility: 2.9 mg/L
Log octanol/water Partition Coefficient: 5.8 and 4.8 reported
Producers:
Monsanto Company, Monsanto Chemical Intermediates Company, Sauget, IL;
Monsanto Industrial Chemicals Company, Bridgeport, NJ
U.S. Production: Commercial production was reported to the U.S. International
Trade Commission in 1978 by Monsanto Company, implying that annual production
was greater than 5,000 pounds. Actual production figures are not available,
but it has been estimated that approximately 106 million pounds of n-butyl
benzyl phthalate were produced in 1977, and that in 1978 the U.S. demand
for this compound was approximately 90 million pounds.
Use: n-Butyl benzyl phthalate is primarily used as a plasticizer in polyvinyl
chloride flooring. It also finds use in polyvinyl chloride foams, coatings,
polyvinyl acetate adhesives, and acrylic caulking compounds.
B-85
-------
AZINPHOS-METHYL (Guthion)
CH "
S
Class: Pesticides CAS No. 86-50-0
^P—SCH2
CH30
Subclass: Insecticides
Structural Class: Organophosphate
Physical and Chemical Properties
Boiling Point: decomposes above 200°C
Melting Point: 73-74°C
Refractive Index: 1.6115
20
Specific Gravity: (d^ ) 1.44
—A o
Vapor Pressure: below 3.8 x 10 mm Hg at 20 C
Water Solubility: very sparingly soluble (about 0.003%)
Log octanol/water Partition Coefficient: 1.87
Stability: Unstable at temperatures greater than 200°C. Solutions in
ethanol and propylene glycol are stable for at least three weeks.
Producer :
Mobay Chemical Corporation, Agricultural Chemicals Division,
Kansas City, Missouri
Consumption: U.S. consumption in 1978 is estimated to have been 2.4
million pounds for agricultural markets. The consumption pattern has
been estimated as follows:
Million
Pounds
0.7 for cotton
1.0 for deciduous fruits/nuts
0.6 for vegetables
0.1 for unspecified field crops
U.S. Production: Commercial production in 1978 was reported to the U.S.
International Trade Commission by Mobay Chemical Corporation.
U.S. Imports; Imports through principal U.S. customs districts amounted
to 158,179 pounds in 1978.
B-86
-------
PENTACHLOROPHENOL
Class: Pesticides CAS No. 87-86-5
Subclass: Fungicides
Structural Class: Phenols
Physical and Chemical Properties
Boiling Point: 309°-310°C
Melting Point: 190°-191°C
Refractive Index: no data
Specific Gravity (d^): 1.978
Vapor Pressure: 0.00011 mm Hg at 20°C
Water Solubility: 8 mg/100 ml
Log octanol/water Partition Coefficient: 5.01
Producers:
(R) i
Dow Chemical, U.S.A. Q)owicide 7j , Midland,Michigan
Reichhold Chemicals, Inc. [chlorophen^R^] , Tacoma, Washington
Vulcan Materials Company, Chemical Division, Wichita, Kansas
U.S. Production: Commercial production in 1978 was 40.0 million pounds.
U.S. Imports: Separate data are not available for pentachlorophenol;
however, imports (through principal U.S. customs districts) of the
sodium salt (sodium pentachlorophenate) in 1978 amounted to 284,459
pounds.
Use Pattern: Pentachlorophenol is used as an antifungal agent in the
following applications: in the wood industry, as a preservative to
control termites and fungus growth in building poles, posts, lumber,
etc.; in the construction industry, to control molds on inert building
surfaces such as tile roofs and concrete blocks; in the leather
industry, to Impart mold resistance to upper leather in shoes; in the
paint industry, for self-protection of protein-based latex paints.
B-87
-------
2,4,6-TRICHLOROPHENOL
Class: Pesticides CAS No. 88-06-2
Subclass: Fungicides/Bactericides
Structural Class: Phenols
Physical and Chemical Properties
Boiling Point: 244.5°C (at 760 mm Hg)
Melting Point: 68°C
Refractive Index: no data
Specific Gravity: 1.490 at 75.4°C
Vapor Pressure: 1 mm Hg at 76.5°C
Water Solubility: 800 mg/L at 25°C
2,430 mg/L at 96°C
Log octanol/water Partition Coefficient: 3.38
Producer:
Dow Chemical U.S.A., Midland, Michigan
U.S. Production: Commercial production was not reported to the U.S.
International Trade Commission in 1978.
U.S. Imports: Imports (through principal U.S. customs districts)
amounted to 600 pounds in 1978.
Use: 2,4,6-Trichlorophenol is used as a wood preservative, glue
preservative, and bactericide, and for antimildew treatment of
fabrics.
B-88
-------
DINOSEB
Class: Pesticides CAS No. 88-85-7
Subclass: Herbicides
Structural Class: Phenols
Physical and Chemical Properties
Boiling Point: no data
Melting Point: 42°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: 1 mm Hg at 151°C
Water Solubility: 50 ppm at 25°C
Log octanol/water Partition Coefficient: no data
Producers:
Blue Spruce Company, Bound Brook, New Jersey
Dow Chemical-U.S.A. [Premerge^^J , Midland, Michigan
Vertac Chemical Corporation, Vicksburg, Mississippi
Consumption: U.S. consumption in 1978 is estimated to have been 8.5
million pounds for agricultural crop and nonagricultural crop markets.
The consumption pattern has been estimated as follows:
Million
Pounds
4.0 for soybeans
1.2 for peanuts
1.0 for vegetables
0.9 for industrial/commercial use
0.7 for deciduous fruits/nuts
0.2 for citrus fruits
0.1 for grains (not specifically mentioned)
0.4 for field crops not previously mentioned
U.S. Production: Commercial production of dinoseb was not reported to
the U.S. International Trade Commission in 1978.
U.S. Imports: Data not available.
CHCHaCH
B-89
-------
ETHYLBENZENE
C2H5
Class: Miscellaneous CAS No. 89-96-3
Structural Class: Alkyl and polycyclic aromatics
Physical and Chemical Properties
Boiling Point: 136.25°C
Melting Point: -94.97°C
Refractive Index: 1«4932
Specific Gravity: (d*0) 0.8670
Vapor Pressure: 10 mm Hg at 25.9°C
Water Solubility: 14 ppm at 25°C
Log octanol/water Partition Coefficient: 3.15
Producers:
American Hoechst Corp., Industrial Chemicals Div., Petrochemicals Div.,
Baton Rouge, LA
Atlantic Richfield Co., ARCO/Polymers, Inc., subsidiary, Port Arthur, TX
The Charter Co., Charter Oil Co., subsidiary, Charter International
Oil Co., subsidiary, Houston, TX
Cos-Mar, Inc., Carville, LA
Dow Chemical U.S.A., Fteeport, TX
El Paso Natural Gas Co., El Paso Products Co., subsidiary, Odessa, TX
Gulf Oil Corp., Gulf Oil Chemicals Co., Petrochemicals Div., St. James, LA
Monsanto Co., Monsanto Chemical Intermediates Co., Chocolate Bayou ,
and Texas City, TX
Oxirane International, Channelview, TX
Standard Oil Co. (Indiana), Amoco Chemicals Corp., subsidiary, Texas
City, TX
Sun Co., Inc., Sun Oil Co. of Pennsylvania, subsidiary, and Sun Petroleum
Products Co., subsidiary, Corpus Christi, TX
Tenneco, Inc., Tenneco Oil Co., division, Chalmette, LA
United States Steel Corp., USS Chemicals, division, Houston, TX
U.S. Production: Commercial production in 1978 was 8,385.5 million pounds
B-90
-------
U.S. Imports: Imports in 1978 (through principal U.S. customs districts)
amounted to 33.7 million pounds.
Consumption: Almost all synthetic ethylbenzene production is captively
consumed for the manufacture of styrene. Small amounts are used as a
solvent, and in some instances it is used in the manufacture of
diethylbenzene, acetophenone, and anthraquinone. Ethylbenzene is also
present in xylene streams; e.g., a crude mixed xylene stream typically
contains roughly 40% m-xylene and 20% each of p-xylene, o-xylene, and
ethylbenzene. The composition of the refined product varies with the
end use for which it is intended; mixed xylenes for solvent use have
been reported to contain approx. 50% m-xylene, 25% £-xylene, almost
25% o-xylene, and less than 1% ethylbenzene.
B-91
-------
2.4.5-T and its ESTERS and SALTS
Class: Pesticides CAS No. 93-76-5
Subclass: Herbicides
Structural Class: Miscellaneous organic
Physical and Chemical Properties (2,4,5-T)
Boiling Point: decomposes at >200°C
Melting Point: 158°C
Refractive Index: no data
20
Specific Gravity (^q) : 1*80
Vapor Pressure: no data
Water Solubility: 278 ppm at 25°C
Log octanol/water Partition Coefficient:
Stability: Stable at its melting point.
Producers:
Dow Chemical U.S.A. {jlsteron^J , Midland, Michigan
Riverdale Chemical Company, Chicago Heights, Illinois
Union Carbide Corporation, Agricultural Products Division,
Amchem Products, Inc., subsidiary, Ambler, Pennsylvania;
Fremont, California;
and St. Joseph, Missouri
Vertac Chemical Corporation, Jacksonville, Arkansas
Consumption: U.S. consumption of 2,4,5-T (and its esters and salts)
in 1978 is estimated to have been 7.1 million pounds for agricultural
crop and nonagricultural crop markets. The consumption pattern has
been estimated as follows:
Million
Pounds
4.7 for industrial/commercial use
2.0 for pasture/rangeland
0.3 for rice
0.1 for lawns/turf
B-92
0—CH
no data
-------
U.S. Production; Commercial production of 2,4,5-T (esters and salt)
was reported to the U.S. International Trade Commission in 1978 by
Dow Chemical U.S.A. and Thompson-Hayward Chemical Company; however,
production figures are not available.
U.S. Imports: Imports of 2,4,5-trichlorophenoxy acetic acid (through
principal U.S. customs districts) in 1978 amounted to 227,171 pounds
B-93
-------
1,2-DICHLOROBENZENE
CI
Class: Miscellaneous CAS No. 95-50-1
Structural Class: Halogenated aromatics
Physical and Chemical Properties
Boiling Point: 180.5°C
Melting Point: -17.03°C
Refractive Index: 1-5515; (np5) 1-5491
Specific Gravity: (d*°) 1.3059; (d*5) 1.3003
Vapor Pressure: 1 nun at 20°C
Water Solubility: 0.145 g/L
Log octanol/water Partition Coefficient: 3.38
Producers:
Dow Chemical U.S.A., Midland, MI
Monsanto Co., Monsanto Chemical Intermediates Co., Sauget, IL
PPG Industries, Inc., Chemicals Group, Chemical Div.-U.S.,
Natrium, WV
Specialty Organics, Inc., Irwindale, CA
Standard Chlorine Chemical Co., Inc., Delaware City, DE
U.S. Production: Commercial production in 1978 was 41.1 million pounds.
U.S. Imports: Imports of "o-dichlorobenzene, mixture" in 1978 (through
principal U.S. customs districts) amounted to 50,000 pounds.
Consumption: U.S. consumption in 1978 is estimated to have been 30-35
pounds. The consumption pattern has been estimated as follows:
Million
Pounds
21-24.5 for organic synthesis (mainly for 3,4-dichloroaniline)
4.5-5.25 for solvent use in the toluene diisocyanate process
2.4-2.8 for miscellaneous solvent use (e.g., paint removers, engine
cleaners, and deinking solvents)
1.2-1.4 for dye manufacture
0.9-1.05 for other uses
B-94
-------
2-CHLOROPHENOL
Class: Miscellaneous CAS No. 95-57-8
Structural Class: Phenols
Physical and Chemical Properties
Boiling Point: 175.6°C at 760 mm Hg
Melting Point: 8.4°C
Refractive Index: (n*3): 1.5565
Specific Gravity: (dfs): 1.2573
Vapor Pressure: 2.2 mm Hg at 20°C (calculated)
Water Solubility: 28,500 mg/L at 20cC
Log octanol/water Partition Coefficient: 2.17
Producers:
Dow Chemical U.S.A., Midland, MI
Monsanto Co., Monsanto Industrial Chemicals Co., Sauget, IL
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Monsanto Company, implying that
annual production was greater than 5,000 pounds; however, actual production
figures are not available.
U.S. Imports: Imports of 2-chlorophenol (through principal U.S. customs
districts) in 1978 were 18,254 pounds.
Use Pattern: 2-Chlorophenol is used as an intermediate in the manufacture
of dyestuffs and higher chlorinated phenols (e.g., 2,4-dichlorophenol)
and as a preservative.
OH
B-95
-------
2-ACETYLAMINOFLUORENE
Class: Miscellaneous
Structural Class: Aromatic and heterocyclic amines
No information was found in readily available sources on the
physical properties of this compound.
OSHA has declared 2-acetylaminofluorene to be a carcinogen. It was
reportedly patented as an insecticide but never used, and may only be
used in specimen amounts for cancer research.
B-96
-------
BIS(2-CHLOROETHYL)ETHER
Cl-CH 2-CH 2-O-CH 2-CH 2-C1
Class: Miscellaneous
Structural Class: Halogenated alkyl aliphatics and alicyclics
Physical and Chemical Properties
Boiling Point: 178°C at 760 mm Hg
Melting Point: -24.5°C
20
Refractive Index (n^ ): 1.457
Specific Gravity (d^®): 1.213
Vapor Pressure: 0.71 mm Hg at 20°C
Water Solubility: 10,200 mg/L (room temperature)
Log octanol/water Partition Coefficient: 1.58
Producers: No producers were Identified in the 1980 Directory of Chemical
Producers-U.S.A.
U.S. Production: Commercial production was reported to the U.S.
International Trade Commission in 1978 by Dow Chemical Company, implying
that annual production was greater than 5,000 pounds; however, production
figures are not available.
U.S. Imports: Data not available.
Uae Pattern: Bie(2-chloroethyl)ether is reportedly used as a solvent and
as a chemical intermediate.
It has been used as : a soil fumigant; an insecticide; an acaricide;
a solvent for fats, waxes, greases, and cellulose esters; a scouring
agent for textiles; an ingredient in paints, varnishes, and lacquers;
a paint remover; and as a solvent in dry cleaning. It has also reportedly
been used as an intermediate in the synthesis of morpholine and
N-substituted morpholine compounds and of divinyl ether, an anesthetic.
B-97
-------
PI(2-ETHYLHEXYL)phthalate
Structural Class: Phthalates
Class: Miscellaneous
C-O-CH2-g-(CH2)3-CH3
C-0-CH2-C-(CH2)3-ch3
Physical and Chemical Properties
CH3
Boiling Point: 386.9°C (at 5 nun Hg)
Melting Point: -50°C
Refractive Index: no data
Specific Gravity: 0.980-0.986 at 25°C
Vapor Pressure: 2 x 10"7 mm Hg at 20°C
Water Solubility: <0.01% at 20°C
Log octanol/water Partition Coefficient: 8.73 and 5.3 reported.
The BF Goodrich Co., BF Goodrich Chemical division, Avon Lake, OH
Hatco Chemical Corp., Fords, NJ
Monsanto Co., Monsanto Industrial Chemicals Co., Texas City, TX
Reichhold Chemicals, Inc., Carteret, NJ
Teknor Apex Co., Hebronville, MA
United States Steel Corp., USS Chemicals division, Neville Island, PA
U.S. Production: Commercial production was reported to the U.S. International
Trade Commission in 1978 by 10 companies, implying that annual production
was greater than 50,000 pounds; however, actual production figures are
not available
U.S. Imports: Data not available,
Use Pattern: U.S. demand in 1978 is estimated to have been 400 million pounds.
This compound is used as a plasticizer for polyvinyl chloride resins and
synthetic rubbers for use in wire insulation, cloth coatings, elastomeric
molded materials, and extruded or calendered compositions.
Producers:
BASF Wyandotte Corp., Industrial Chemicals Group, Intermediate
Chemicals Division, Kearny, NJ
Eastman Kodak Co., Eastman Chemical Products, Inc., subsidiary,
Tennessee Eastman Co., Kingsport, TN
B-98
-------
LINEAR ALKYLBENZENE SULFONIC ACID AND SALTS
Class: Miscellaneous
Structural Class: Miscellaneous
producers:
Alkylbenzenesulfonic acid and salts (unspecified):
AZS Corp., AZS Chem. Co. Div., Atlanta, GA; Colgate-Palmolive Co.,
Berkeley, CA; Jeffersonville, IN; Jersey City, NJ; and
Kansas City, KS
Crain Chem. Co., Inc., Dallas, TX
Essential Chems. Corp., Merton, WI
Lever Brothers Co., Edgewater, NJ: Hammond, IN; Los Angeles, CA;
and St. Louis, MO
Morton-Norwich Products, Inc., Texize Div., Greenville, SC
United Merchants & Mfgs., Inc., Valchem-Chem. Div., Langley, SC
Witco Chem. Corp., Organics Div., Lynwood, CA, and Perth Amboy, NJ
(Mixed higher alkyl) benzenesulfonic acid:
Henkel Corp., Hawthorne, CA
Dodecylbenzenesulfonic acid:
Cities Service Co., Minerals Group, Copperhill, TN
Conoco Inc., Conoco Chems. Co. Div., Hammond, IN
Continental Chem. Co., Conco Products, Clifton, NJ
Crest Chem. Corp., Newark, NJ
Emkay Chem. Co., Elizabeth, NJ
Finetex Inc., Elmwood Park, NJ
Gulf Oil Corp., Millmaster Onyx Group, subsidiary, Onyx Chem.
Co., division, Blue Island, IL
Henkel Corp., Hawthorne, CA
Pilot Chem. Co., Lockland, OH, and Santa Fe Springs, CA; Pilot
Labs., Inc., subsidiary, Avenel, NJ
Plex Chem. Corp., Union City, CA
Purex Corp., Bristol, PA; St. Louis, MO; and South Gate, CA
B-99
-------
Producers (cont'd)
Dodecylbenzenesulfonic acid (cont'd)
The Richardson Co., Chems. Group, Organic Chems. Div.,
Paterson, NJ
Stepan Chem. Co., Surfactant Dept., Anaheim, CA; Fieldsboro,
and Millsdale, IL
Witco Chem. Corp., Ultra Div., Houston, TX, and Paterson, NJ
Dodecylbenzenesulfonic acid, ammonium salt:
Arkansas Co., Inc., Newark, NJ
Arol Chem. Products Co., Newark, NJ
Continental Chem. Co., Conco Products, Clifton, NJ
Eastern Color & Chem. Co., Providence, RI
The Richardson Co., Chems. Group, Organic Chems. Div., Lemont
and Paterson, NJ
Stockhausen, Inc., Greensboro, NC
Dodecylbenzenesulfonic acid, calcium salt:
ICI Americas Inc., Specialty Chems. Div., New Castle, DE
The Richardson Co., Chems. Group, Organic Chems. Div., Lemont
and Paterson, NJ
Dodecylbenzenesulfonic acid, ethylenediamine salt:
ICI Americas Inc., Specialty Chems. Div., New Castle, DE
Dodecylbenzenesulfonic acid, isopropylamine salt:
ICI Americas Inc., Specialty Chems. Div., New Castle, DE
Pilot Chem. Co., Lockland, OH, and Santa Fe Springs, CA;
Pilot Labs., Inc., subsidiary, Avenel, NJ
The Richardson Co., Chems Group, Organic Chems. Div., Lemont,
Stepan Chem. Co., Surfactant Dept., Anaheim, CA; Fieldsboro,
and Millsdale, IL
Sun Chem. Corp., Chems. Group , Chems. Div., Chester, SC
Witco Chem. Corp., Organics Div., Houston, TX
B-100
-------
Producers (cont'd)
Dodecylbenzenesulfonic acid, sodium salt:
Alcolac Inc., Baltimore, MD, and Sedalia, MO
Arol Chem. Products Co., Newark, NJ
Bofors Lakeway, Inc., Muskegon, MI
Celanese Corp., Celanese Plastics & Specialties Co., division,
Celanese Emulsions, division, Charlotte, NC
The Chemithon Corp., Seattle, WA
Cities Service Co., Minerals Group, Copperhill, TN
Conoco Inc., Conoco Chems. Co., Div., Hammond, IN
Continental Chem. Co., Conco Products, Clifton, NJ
Emkay Chem. Co., Elizabeth, NJ
Finetex Inc., Elmwood Park, NJ
Grestco Dyes & Chems., Inc., DePaul Div., Long Island City, NY
Gulf Oil Corp., Millmaster Onyx Group, subsidiary, Onyx Chem.
Co., division, Blue Island, IL
Hart Products Corp., Jersey City, NJ
Henkel Corp., Hawthorne, CA
National Starch and Chem. Corp., Proctor Chem. Co., subsidiary,
Salisbury, NC
Pilot Chem. Co., Lockland, OH, and Santa Fe Springs, CA; Pilot
Labs., Inc., subsidiary, Avenel, NJ
The Procter & Gamble Co., Ivorydale, OH
Purex Corp., Bristol, PA; St. Louis, MO; and South Gate, CA
The Richardson Co., Chems. Group, Organic Chems. Div., Lemont,
and Paterson, NJ ,
Stepan Chem. Co., Surfactant Dept., Anaheim, CA; Fieldsboro, NJ
and Millsdale, IL
Witco Chem. Corp., Ultra Div., Houston, TX, and Paterson, NJ
Dodecylbenzenesulfonic acid, triethanolamine salt:
Arol Chem. Products Co., Newark, NJ
Consolidated Foods Corp., Peck's Products Co., subsidiary, St.
Louis, MO
Continental Chem. Co., Conco Products, Clifton, NJ
B-101
-------
Producers (cont'd)
Dodecylbenzenesulfonic acid, triethanolamine salt (cont'd):
Finetex Inc., Elmwood Park, NJ
Gulf Oil Corp., Millmaster Onyx Group, subsidiary, Onyx Chem.
Co., division, Blue Island, IL
Pilot Chem. Co., Lockland, OH, and Santa Fe Springs, CA; Pilot
Labs., Inc., subsidiary, Avenel, NJ
Quad Chem. Corp., Carson Chem., Inc., subsidiary, Carson, CA
The Richardson Co., Chems. Group, Organic Chems. Div., Lemont, IL
SSC Indust., Inc., East Point, GA
Stepan Chem. Co., Surfactant Dept., Anaheim, CA; Fieldsboro, NJ
and Millsdale, IL
Witco Chem. Corp., Organics Div., Houston, TX
Dodecylbenzyl chloride:
Stauffer Chem. Co., Specialty Chem. Div., Edison, NJ
Tridecylbenzenesulfonic acid:
Continental Chem. Co., Conco Products, Clifton, NJ
H. Kohnstamm & Co., Inc., Clearing, IL
Tridecylbenzenesulfonic acid, sodium salt:
Astor Products, Blue Arrow Div., Jacksonville, FL
Witco Chem. Corp., Ultra Div., Houston, TX, and Paterson, NJ
U.S. Production: Commercial production of alkylbenzene sulfonic acid and
salts was 640 million pounds in 1978. It is estimated that 614 million
pounds of this represented production of linear alkylbenzene sulfonic
acid and salts, and the remaining 26 million pounds represented production
of branched alkylbenzene sulfonic acids and salts.
U.S. Imports: Most linear alkylbenzene sulfonic acid and salts produced
in the United States are also consumed domestically. Imports of linear
alkylbenzene sulfonic acid and salts are negligible.
Use Pattern: Linear alkylbenzene sulfonic acids and the various salts
are consumed as surface-active agents in a multitude of solid and liquid
synthetic detergents, cleansers, and other formulations designed for
B-102
-------
Use Pattern (cont'd):
household, commercial, and industrial applications. The major market
for linear alkylbenzene sulfonic acids and salts is for use in household
synthetic detergents. Domestic consumption of linear alkylbenzene
sulfonic acids and salts in 1975 has been estimated as follows:
Million
Pounds
253
for
heavy-duty,
high-foam laundry detergent powders
107
for
light-duty,
liquid detergents (i.e., dishwashing liquids)
83
for
heavy-duty,
low-foam laundry detergent powders
51
for
heavy-duty,
liquid laundry detergents
25
for
household cleansers and miscellaneous
100
for
industrial,
commercial, and institutional applications
B-103
-------
METHYL MERCURY
Class: Miscellaneous
Structural Class: Organometallics
The only available information on this compound indicates that it is
found (along with dimethylmercury) as an environmental contaminant in
fish and birds. A number of industrial processes make use of mercury,
some of which is eventually disposed of in waste-water effluents.
Metallic mercury was once believed to sink into the sediments and remain
there in a chemically inert form; however, it is now known that anaerobic
bacteria in bottom muds can convert inorganic mercury into methyl mercury,
which can be concentrated in living things and lead to mercury poisoning.
B-104
-------
PCBs
Class: Miscellaneous
Structural Class:
Physical Properties: Individual polychlorinated biphenyls vary widely in
their physical properties according to the degree and position of
chlorination. However, all have a very low water solubility, low vapor
pressure, and a high dielectric constant. The properties that made
these compounds so widely used in industrial applications include
excellent thermal stability, strong resistance to both acid or basic
hydrolysis, and general inertness. Approximate molecular composition
and physical properties of various Aroclors (i.e., technical mixtures
of a number of the individual polychlorinated biphenyls) are given below:
Approximate Molecular Composition of Aroclors
Eupirleal
Formula
Aroclor Number
1016
1221
1232
1:42
1248
*
ND
1254
1260
C12B10
<0.1
11
<0.1
<0.1
<0.1
ND
c12r.,ci
1
51
31
1
ND
<0.1
KD
CX2H8C12
20
32
24
16
2
0.5
ND
C12«7C13
57
4
28
49
18
1
ND
C12fl6C14
21
2
12
25
40
21
1
c12h5ci5
1
<0.5
4
8
36
48
12
C12H4C16
<0.1
ND
<0.1
1
4
23
38
C12H3C17
ND
ND
ND
<0.1
ND
6
41
C12K2C18
WD
ND
ND
KD
ND
ND
8
C12H1C19
ND
ND
ND
ND
ND
ND
ND
Average
Molecular
Weight
257.9
200.7
232.2
266.5
299.5
328.4
375.
*ND denotes none detected.
B-105
-------
Properties of Aroclors
w
i
M
O
On
ty
Appear
Chlorine
(Percent)
Density
(gra/cni*)
(25°C)
Uist11latIon
k^ugc
<°C)
Evaporat ion
Uss (X)
lOO°C/t> l»rs
Aqueous
Solubl1 It y
(tag/1)
Vapor Pressure
(wit llK * 2buC)
Octanol /Water
Part It Ion
Coef £irlent
(Log f)
1016 1221
Cli-jr Oil Clear 01 1
41
1.1 3
NA
0.42
1.15
125-356 275-320
1-1.5
KM 2
Clt.ir Oil
1.24
290-325
1-1.5
4.38
>5.58+
(2.8|
4 .Off"
13.2]
>4 .54 +
1242
C le.ir V1 1
20.5-21.5 31.4-32.5 42
1.35
32'-ibt
0-0.4
U .24
0. 34
U.l J
[15.0] (1.451
[ « x lO-"6" 1 t 6.7 x 10"3 ] ( 4.06 x 10° J 4 06 x J0~4
4.11
> 5 . "i H t
12 ¦. S
C 1 e -• r Oil
48
1.41
UO-375
0-0. 3
0.054
4.«J4 x 10
15.75)
>6.11+
-4
Light
Yu 11ow
Viscous
Liqu id
54
1.50
165-3SU
0-0.2
II..112
0.024
0.056
7.71 x 10
( 0.0 J J
-5
Ugl.t
Yellow
St lcky
Re s in
60
1.58
1H5-420
0-0.1
0.0'!27
4.05 x 10
17.HI
>h.I 1 +
-5
~Figures In brackets are estimates.
tPartltion coefficient of lowest chlorinated polychlorinated blphenyl present in significant quantities.
-------
U.S. Producers/ProductIon: Production of polychlorinated biphenyls
was stopped in the United States in October 1977 because of the
tendency of these products to accumulate and persist in the
environment.
U.S. Imports: Imports of polychlorobiphenyl (PCBs), through principal
U.S. customs districts, amounted to 483,074 pounds in 1978.
Use Pattern: PCBs were formerly used as dielectric mediums in
transformers; as dielectric impregnating mediums in capacitors; as
plasticizers; as ingredients in lacquers, paints, varnishes, and
adhesives; as water-proofing compounds in various types of coatings;
as lubricants or lubricant additives under extreme conditions; as heat
transfer fluids; as fire-resistant hydraulic fluids; as vacuum pump
fluids; and as air compressor lubricants.
B-107
-------
^-TETRAHYDROCANNABINOL
Class: Miscellaneous
' ' OH
Structural Class: Phenols
sO C3H11
Physical and Chemical Properties
Boiling Point: 200°C at 0.02 mm Hg
Melting Point: no data
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: no data
Log octanol/water Partition Coefficient: 3.78, 2.95, 2.74 reported
Producers: No producers were identified in the 1980 Directory of Chemical
Producers-U.S.A.
U.S. Production/Imports: ^-Tetrahydrocannabinol is the active ingredient
in marihauna. It has been estimated that 24 to 36 million pounds of
marihuana were supplied to the U.S. market in 1978 (this figure includes
domestic U.S. production, which accounted for 5 to 10% of the market supply).
Use Pattern: A9-Tetrahydrocannabinol has recently been under study for
use by cancer patients to reduce the nausea and other side effects of
cancer chemotherapy treatments.
B-108
-------
INORGANIC CHEMICALS
B-109
-------
LEAD NITRATE
Class: Inorganics CAS No. 10099-74-8
Physical and Chemical Properties ^PbCNO^^J
Boiling Point: no data
Melting Point: decomposes at 470°C
Refractive Index: 1.782
Specific Gravity: 4.53 at 20°C
Vapor Pressure: no data
Water Solubility: 1 g per 0.75 ml H20 at 100°C
Additional Information: Promotes combustion when in contact with organic
matter.
Producers:
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
G. Fredrick Smith Chemical Company, Columbus, Ohio
U.S. Production: No data were available for 1978.
U.S. Imports: 1.1 million pounds in 1978.
Use Pattern: Lead nitrate is used in the manufacture of matches and
special explosives (e.g., lead azide, a primary explosive used In
military detonaters), as a mordant in dyeing and printing on textiles,
as an oxidizer in the dye industry, as a sensitizer in photography,
and in process engraving. It also reportedly has been used as a caustic
in equine canker.
B-110
-------
CADMIUM PICHLORIDE
Class: Inorganics CAS No. 10108-64-2
Physical and Chemical Properties (CdClj) (data on the hydrated form later)
Boiling Point: 960°C
Melting Point: 568°C
Refractive Index: no data
Specific Gravity: 4.05 at 25°C
Vapor Pressure: no data
Water Solubility: 140 g/100 cc H20 at 20°C;
150 g/100 cc H20 at 100°C
Producers:
W. A. Cleary Corporation, Somerset, New Jersey
Gulf Oil Corporation, Harshaw Chemical Company, subsidiary,
Industrial Chemicals Department, Cleveland, Ohio
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
U. S. Production: Data not available.
U. S. Imports: Data not available.
Use Pattern: Although insufficient data are available on which to base a
consumption pattern, it is believed that the largest single use of
commercial grade cadmium dichloride is in pesticides, primarily turf
fungicides. Higher purity cadmium dichloride is believed to be used
in photographic materials and phosphors.
Physical and Chemical Properties (CdC^* 24 ^0)
Boiling Point: -
Melting Point: 34°C (transition point)
Refractive Index: 1.6513
Specific Gravity: 3.327
Vapor Pressure:
Water Solubility: 168 g/100 cc Ha0 at 20°C;
180 g/100 cc Ha0 at 100°C
B-lll
-------
CADMIUM SULFATE
Class: Inorganics CAS No. 10124-36-4
Physical and Chemical Properties (CdSOi,) (data on hydrated forms later)
Boiling Point: no data
Melting Point: 1000°C
Refractive Index: no data
Specific Gravity: 4.691
Vapor Pressure: no data
Water Solubility: 75.5 g/100 cc H20 at 0°C
Producers:
Gulf Oil Corporation, Harshaw Chemical Company, subsidiary,
Industrial Chemicals Department, Cleveland, Ohio
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
U.S. Production: No production data for 1978 were found; however, in
1972, estimated production was 4.4 million pounds.
U.S. Imports: No separate data on imports were reported for cadmium sulfate.
Use Pattern: Cadmium sulfate is used as an electrolyte in standard cells
such as the Weston cell, and industrially, as an alternative to the
cadmium cyanide electroplating bath. It is also used as a chemical
intermediate in the synthesis of (a) cadmium salts of long-chain fatty
acids used for plastics stabilizers, and (b) cadmium pigments (e.g.,
cadmium sulfide, cadmium lithopone, and cadmium sulphoselenide).
Physical and Chemical Properties
CdS04*H20
fldSOJ,»7H20
3CdS0i.«8H20
Boiling Point:
no data
no data
no data
Melting Point:
108°C
4°C
41.5°C
(transition
(transition
(transition
point)
point)
point)
Refractive Index;
no data
no data
1.565
Specific Gravity;
3.79 at 20°C
2.48
3.09
Vapor Pressure;
no data
no data
no data
Water Solubility;
Soluble in
Soluble in
113 g/100 cc H20
H20
H20
at 0"C
B-112
-------
COPPER NITRATE
Class: Inorganics CAS No. 10402-29-6
Physical and Chemical Properties [Cu(N03)2#3Ha0] (data on the hexahydrate
later)
Boiling Point: decomposes at 170*0
Melting Point: 114.5cC
Refractive Index: no data
Specific Gravity: 2.32 at 25°C
Vapor Pressure: no data
Water Solubility: 137.8 g/100 cc HaO at 0°C;
1270 g/100 cc Ha0 at 100°C
Producers:
Allied Chemical Corporation Chemicals Company, Buffalo, New York,
and Marcus Hook, Pennsylvania
Associated Metals and Minerals Corporation, Gulf Chemical and
Metallurgical Company, division, Ironton, Ohio
C. P. Chemicals, Inc., Sumter, South Carolina
Kocide Chemical Company, Houston, Texas
McGean Chemical Company, Inc., Cleveland, Ohio
Mineral Research and Development Corporation, Concord, North Carolina
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
The Shepard Chemical Company, Cincinnati, Ohio
Southern California Chemical Company, Inc., Bayonne, New Jersey;
Sante Fe Springs, California; and Union, Illinois
United Catalysts Inc., Louisville, Kentucky
B-113
-------
U.S. Production: No production data for 1978 were available.
U.S. Imports: No separate data on imports were available for 1978.
Use Pattern: Copper nitrate is used as a ceramic color, a mordant in
dyeing, a catalyst in solid rocket fuel, a nitrating agent, and as a
preservative of wood and cellulosic material. It reportedly has been
employed as a processing aid in the flotation of cinnabar, as a
drilling mud dispersant, as a corrosion inhibitor, and in light-sensitive
reproductive papers.
Physical and Chemical Properties Cu(N03)2*6Ha0
Boiling Point: -
Melting Point: loses 3Ha0 at 26.4°C
Refractive Index:
Specific Gravity: 2.074
Vapor Pressure:
Water Solubility: 243.7 g/100 cc H20 at 0°C;
e>o in hot water
B-114
-------
SODIUM DICHROMATE
Class: Inorganics CAS No. 10588-01-9
Physical and Chemical Properties (Na2Cr207*2H20)
Boiling Point: decomposes at 400°C (anhydrous)
Melting Point: 356.7°C (anhydrous)
Refractive Index: 1.661, 1.699, 1.751
Specific Gravity: 2.52 at 13°C
Vapor Pressure: no data
Water Solubility: 238 g/100 cc H2O at 0°C (anhydrous);
508 g/100 cc H20 at 80°C (anhydrous)
Stability: Loses water on prolonged heating at 100°C.
Producers:
Allied Chemical Corporation Chemicals Company, Baltimore, Maryland
American Chrome and Chemicals, Inc., Corpus Christi, Texas
Diamond Shamrock Corporation, Industrial Chemicals and Plastics Unit,
Soda Products Division, Castle Hayne, North Carolina
PPG Industries, Inc., Chemicals Group, Chemical Division-United States,
Corpus Christi, Texas
U.S. Production: Commercial production of sodium dichromate and sodium
chromate combined was estimated to be 350 million pounds in 1978. No
separate data were available for sodium dichromate.
U.S. Imports: Combined imports of sodium dichromate and sodium chromate
amounted to 1.2 million pounds in 1978.
Use Pattern: The 1977 consumption pattern for sodium dichromate and
chromate has been estimated at 276-292 million pounds. The estimated
consumption pattern was as follows:
B-115
-------
Use Pattern (cont'd)
Million
Pounds
74 for pigments (e.g., for industrial interior and exterior
maintenance, machinery, and equipment)
68 for production of chromic acid
56 for leather tanning
38-46 for wood preservatives
12 for metal treatment
28-36 for other uses (e.g., pharmaceuticals, fine chemicals,
catalysts)
B-116
-------
AMMONIUM CHLORIDE
Class: Inorganics CAS No. 12125-02-9
Physical and Chemical Properties (NH<,C1)
Boiling Point: at 337.8°C, sublimes without melting
Melting Point: no data
Refractive Index: 1.642
Specific Gravity: 1.5274 at 25°C
Vapor Pressure: 1 mm Hg at 160.4°C
Water Solubility: (w/w) 22.9% at 0°C;
26.0% at 15°C;
28.3% at 25°C;
39.6% at 80°C
Producers:
Allied Chemical Corporation Chemicals Company, Syracuse (Solvay),
New York
Carroll Products, Inc., Schuylkill Chemical Company, Division,
Philadelphia, Pennsylvania
E. I. du Pont de Nemours and Company, Inc., Chemicals, Dyes and
Pigments Department, Cleveland, Ohio
Pennwalt Corporation, Inorganic Chemical Division, Wyandotte,
Michigan
Reagent Chemical and Research, Inc., Texas City Division, Texas City,
Texas
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
B-117
-------
U.S. Production: No 1978 production data were available. Production
in 1972 was estimated to be 46.2 million pounds.
U.S. Imports: Imports in 1978 were 2.0 million pounds.
Use Pattern: Most ammonium chloride is used to produce dry cell batteries,
where it serves as an electrolyte. Other important uses are as a metal
cleaner in soldering and as a flux in tinning and galvanizing. Minor
uses are for pharmaceutical purposes—in diuretics, diaphoretics, and
expectorants.
B-118
-------
IRON HYDROXIDE
Class: Inorganics CAS No. 1309-33-7
Physical and Chemical Properties [Fe(0H)s]
Boiling Point: no data
Melting Point: decomposes
Refractive Index: no data
Specific Gravity: 3.4-3.9
Vapor Pressure: no data
Water Solubility: 0.00015 g/100 cc H2O at 16°C
Stability: Loses water to form Fea03 below 500°C.
Producers: No information was found on producers of iron hydroxide.
U.S. Production: Data for 1978 were not available, and none were found
for previous years.
U.S. Imports: No separate data were available for iron hydroxide.
Use Pattern: Iron hydroxide (i.e., ferric hydroxide) is reportedly used
in purifying water, as an absorbent in chemical processing, as a
catalyst, and as a pigment (particularly in interior latex paints).
B-119
-------
PLUTONIUM
Class: Inorganics CAS No. 7440-07-5
Physical and Chemical Properties (Pu)
Boiling Point: 3232°C
Melting Point: 641 C
Refractive Index: no data
Specific Gravity: 19.84 at 25°C
Vapor Pressure: no data
Water Solubility: no data
Producers: No information on producers of plutonium was found.
U.S. Production: The major production of plutonium is closely controlled
by the U.S. government and production information is classified. However,
it has been estimated that an additional 20,000 pounds of plutonium was
produced as a by—product from commercial nuclear reactors in 1978, (Since
the government prohibits reprocessing of nuclear fuel, this plutonium is
currently stored in used fuel elements in storage pools on reactor sites
and is unavailable for consumption.)
U.S. Imports: No data available.
Use Pattern: Plutonium is used primarily in nuclear weaponry and as an
energy source for producing electrical power. It may be used in
radionuclide batteries for pacemakers.
B-120
-------
ANTIMONY TRIOXIDE
Class: Inorganics CAS No. 7440-36-0
Physical and Chemical Properties (Sba03)
Boiling Point: 1550°C
Melting Point: 656°C
Refractive Index: 2.087
Specific Gravity: 5.2
Vapor Pressure: 1 mm Hg at 574°C
Water Solubility: very slightly soluble
Producers:
Anzon America, Inc., Laredo, Texas
ASARCO Inc., Omaha, Nebraska
Associated Metals and Minerals Corporation, Gulf Chemical and
Metallurgical Company, division, Texas City, Texas
Gulf Oil Corporation, Harshaw Chemical Company, subsidiary,
Industrial Chemicals Department, Gloucester, New Jersey
McGean Chemical Company, Inc., Cleveland, Ohio
M and T Chemicals, Inc., Baltimore, Maryland
PPG Industries, Inc., Chemicals Group, Chemical Division, U.S.
Specialty Products Unit, La Porte, Texas
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
B-121
-------
U.S. Production: Production data for 1978 were not available; however,
commercial production in 1977 was 19.8 million pounds.
U.S. Imports: Import data for 1978 were not available; however, in 1977
16 million pounds were imported.
Use Pattern: The 1977 consumption was estimated to be 12.8 million
pounds. About 11.5 million pounds were used as a flame retardant in
textiles, pigments, plastics, rubber, adhesives, and paper. An
estimated 1.3 million pounds were consumed as an opacifier in cast iron
enamels or in purifying glass.
B-122
-------
SELENIUM DIOXIDE
Class: Inorganics CAS No. 7446-08-4
Physical and Chemical Properties (Se02)
Boiling Point: no data
Melting Point: 340-350°C (sublimes)
Refractive Index: (np°):<1.76
Specific Gravity: 3.954 at 15°C
Vapor Pressure: 12.5 mm Hg at 70°C
Water Solubility: 38.4 g/100 cc H20 at 14°C
Stability: Stable to light and heat.
Producers:
Apache Chemicals, Inc., Rockford, Illinois
Fairmount Chemical Company, Inc., Newark, New Jersey
U.S. Production: No data for 1978 were available.
U.S. Imports: 0.04 million pounds in 1978.
Use Pattern: Selenium dioxide is used as an oxidizing agent, as a
catalyst in organic synthesis, and in the manufacture of other
selenium compounds. It reportedly has been used in the manufacture
of cortisone and niacin.
B-123
-------
ALUMINUM CHLORIDE
Class: Inorganics CAS No. 7446-70-0
Physical and Chemical Properties (A1C13, anhydrous; information on the
hexahydrate later)
Boiling Point: sublimes at 178°C
Melting Point: 190°C at 1900 mm
Refractive Index: 1.560; 1.507
Specific Gravity: 2.44 at 25°C
Vapor Pressure: 1 mm Hg at 100.0°C
Water Solubility: 69.9 g/100 cc H20 at 15°C
Stability: Aluminum chloride (anhydrous) fumes in air and combines with
water with explosive violence and liberation of heat.
Producers:
Aluminum chloride, anhydrous:
ACL Industries, Inc., Elkton, Maryland
Allied Chemical Corporation Chemicals Company, Ransomville,
New York
Aluminum Company of America, Palestine, Texas
Ascension Chemical of America Corporation, Huntsville, Texas,
and Tonawanda, New York
Pearsall Chemical Corporation, La Porte, Texas, and Phillipsburg,
New Jersey
Van De Hark Chemical Corporation, Inc., Lockport, New York
Aluminum chloride, hydrous:
Allied Chemical Corporation Chemicals Company, Chicago, Illinois
Chattem Inc., Chattem Chemicals Division, Chattanooga, Tennessee
E. I. du Pont de Nemours and Company, Inc., Chemicals, Dyes and
Pigments Department, Linden, New Jersey
Reagent Chemical and Research, Inc., Texas Division, Houston, Texas
Revlon, Inc., Armour Pharmaceutical Company, subsidiary Reheis
Chemical Company Division, Berheley Heights, New Jersey
B-124
-------
U.S. Production: Commercial production of anhydrous aluminum chloride
(100% AlCl3 basis) was estimated to be 136.8 million pounds in 1978.
Production data for 1978 for hydrous aluminum chloride were not
available; however, commercial production in 1977 was 11.8 million
pounds.
U.S. Imports: Separate data for imports of aluminum chloride were
unavailable.
Use Pattern: Estimated consumption pattern for anhydrous aluminum
chloride for 1974 (most recent year found) was:
35% as a catalyst for ethyl benzene
16% as a catalyst for dyestuff intermediates
9% as a catalyst for detergent alkylate
8% as a catalyst for hydrocarbon resins
5% as a catalyst for ethyl chloride
27% for other uses (e.g., butyl rubber manufacture, production of
titanium dioxide pigments)
Estimated consumption pattern for hydrous aluminum chloride for 1976
was:
50% for cosmetics and pharmaceuticals (particularly antiperspirants)
17% for pigments
10% for roofing granules
10% for specialty papers
13% for photography and other uses
Physical and Chemical Properties (A1C13» 6 H20)
Boiling Point: -
Melting Point: decomposes at 100°C
Refractive Index: 1.6
Specific Gravity: 2.398
Vapor Pressure:
Water Solubility: soluble in cold water; very soluble in hot water
and evolves HC1
B-125
-------
MERCURY DICHLORIDE
Class; Inorganics CAS No. 7487-94-7
Physical and Chemical Properties (HgCl2)
Boiling Point: 302°C
Melting Point: 276°C
Refractive Index: 1.859
Specific Gravity: 5.44 at 25°C; liquid 4.44 at 280°C
Vapor Pressure: 1 mm Hg at 136.2°C
Water Solubility: 1 g/13.5 ml H2O ("cold");
1 g/2.1 ml H20 at 100°C
Producers:
Merck and Company, Inc., Calgon Corporation, subsidiary, Activated
Carbon Division, Water Management Division, Hawthorne, New Jersey
Troy Chemical Corporation, Newark, New Jersey
U.S. Production: Data for 1978 were not available. In 1976 there were
two U.S. producers of mercury dichloride, each of which had a reported
annual capacity of 1 million pounds.
U.S. Imports: 0.02 million pounds In 1978.
Use Pattern: Mercury dichloride has reportedly been used as a disinfectant
and sterilizing agent, as a fungicide and wood preservative, as a
catalyst in many organic chemical processes (e.g., production of vinyl
chloride monomer), as an intensifier in photography, and as an analytical
reagent. No consumption pattern was available.
B-126
-------
HYDROGEN CYANIDE
Class: Inorganics CAS No. 74-90-8
Physical and Chemical Properties (HCN)
Boiling Point: 25.7°C
Melting Point: -13.2°C
Refractive Index: 1.2675
Specific Gravity: 0.6876 at 20°/4°C (liquid); 0.941 (gas)
Vapor Pressure: 400 mm Hg at 9.8°C
Water Solubility: raiscible with H20
Stability: Hydrogen cyanide solution is sensitive to light.
Producers:
American Cyanamid Company, Industrial Chemicals Division,
New Orleans, Louisiana
Ciba-Geigy Corporation, Agricultural Division, Saint Gabriel,
Louisiana; Plastics and Additives Division, Glens Falls, New York
Degussa Corporation, Alabama Group, Theodore, Alabama
Dow Chemical U.S.A., Freeport, Texas
E. I. du Pont de Nemours and Company, Inc., Chemicals, Dyes and
Pigments Department, Memphis, Tennessee; Petrochemicals Department,
Polymer Intermediates Department, Beaumont, Texas; Orange, Texas; and
Victoria, Texas
Monsanto Company, Monsanto Chemical Intermediates Company, Chocolate
Bayou, Texas, and Texas City, Texas
Rohm and Haas Company, Rohm and Haas Texas Inc., subsidiary, Deer Park,
Texas
The Standard Oil Company (Ohio), Vistron Corporation, subsidiary,
Chemicals Department, Lima, Ohio
U.S. Production: Production data for 1978 were not available; 1977 production
was 441.0 million pounds.
B-127
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U.S. Imports: No data available.
Use Pattern: The 1978 demand for hydrogen cyanide has been estimated at
450 million pounds. The 1978 consumption pattern breakdown is:
58% for production of methyl methacrylate
17% for production of cyanuric chloride
13% for production of chelating agents [principally nitrilotriacetic
acid (NTA) and ethylenediamine tetraacetic acid ( EDTA)]
9% for production of sodium cyanide
3% other (excluding adiponitrile).
B-128
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ZINC CHLORIDE
Class: Inorganics CAS No. 7646-85-7
Physical and Chemical Properties (ZnCl2)
Boiling Point: 732°C
Melting Point: 290°C
Refractive Index: 1.681; 1.713
Specific Gravity: 2.91 at 25°C
Vapor Pressure: 1 mm Hg at 428°C
Water Solubility: 432 g/100 g Ha0 at 25°C;
614 g/100 g HjO at 100°C
Producers:
C. P. Chemicals, Inc., Sewaren, New Jersey, and Sumter, South Carolina
E. I. du Pont de Nemours and Co., Inc., Chemicals, Dyes & Pigments
Dept., Cleveland, Ohio
Madison Industries, Inc., Old Bridge, New Jersey
Maryland Zinc & Research Co., Cockeysville, Maryland
Mineral Research & Development Corp., Concord, North Carolina and Freeport,
Richardson-Merrell, Inc., J. T. Baker Chemical Co., subsidiary,
Phillipsburg, NJ
U.S. Production: Data for 1978 were not available; however, 1973
production has been estimated at 71 million pounds.
U.S. Imports: 3.2 million pounds.
Use Pattern: The 1971 consumption pattern for zinc chloride has been
estimated as follows:
25% in dry cell batteries
15% in fluxes for galvanizing, soldering, and tinning
8% in vulcanized fibers
8% as a catalyst in resin systems for permanent-press finishes
7% for the manufacture of zinc dithiocarbamate rubber accelerator
B-129
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Use Pattern (cont'd)
5% in fertilizers
4% for diazo dyes
4% as a corrosion inhibitor
3% as a catalyst in production of methylene chloride
3% in the lithographic industry
18% other uses
It is believed that the primary use of zinc chloride in 1978 is as an
electrolyte in dry cell batteries.
B-130
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SODIUM CHLORIDE
Class: Inorganics CAS No. 7647-145
Physical and Chemical Properties (NaCl)
Boiling Point: 1413°C
Melting Point: 801°C
Refractive Index: 1.5442
Specific Gravity: 2.165
Vapor Pressure: 1 ram Hg at 865°C
Water Solubility: 1 g/2.8 ml H20 at 25°C;
1 g/2.6 ml Ha0 at 100°C
Stability: Sodium chloride crystals are slightly hygroscopic.
Producers: (as of March 1976)
Acme Salt Company, Erick, Oklahoma
Akzona Incorporated, International Salt Company, subsidiary,
Cleveland, Ohio; Detroit, Michigan; New Iberia, Louisiana;
Retsof, New York; Watkins Glen, New York
Albert Paulson Salt Company, Redmond, Utah
Allied Chemical Corporation, Industrial Chemicals Division,
Moundsville, West Virginia; Plaquemine, Louisiana; and
Syracuse, New York
American Magnesium Company, Snyder, Texas
American Salt Company, Grantsville, Utah, and Lyons, Kansas
BASF Wyandotte Corporation, Industrial Chemicals Group, Geismar,
Louisiana, and Wyandotte, Michigan
Blackman Salt Company, Freedom, Oklahoma
Cargill, Inc., Salt Department, Beau Bridge, Louisiana; Franklin,
Louisiana; Hutchinson, Kansas; and South Lansing, New York
Climax Chemical Company, Monument, New Mexico
Diamond Crystal Salt Company, Akron, Ohio; St. Clair, Michigan;
and New Iberia, Louisiana
B-131
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Producers (cont'd)
Diamond Shamrock Corporation, Electro Chemicals Division, Deer Park,
Texas, and Painesville, Ohio
Dotmar Chemicals, Inc., Sifto Salt Division, New Iberia, Louisiana
Dow Chemical U.S.A., Freeport, Texas; Midland, Michigan; and
Plaquemine, Louisiana
Excelsior Salt Works, Pomeroy, Ohio
FMC Corporation, Industrial Chemical Division, South Charleston,
West Virginia
Freeport Minerals Company, Chauvin, Louisiana; Grand Isle, Louisiana;
Port Sulfur, Louisiana; and Venice, Louisiana
General Electric, Plastics Business Division, Mount Vernon, Indiana
Gulf Resources and Chemical Corporation, Great Lakes Minerals- and
Chemicals Corporation, subsidiary, Ogden, Utah
Hardy Salt Company, Manistee, Michigan; Tooele, Utah: and Williston,
North Dakota
Huck Salt Company, Fallon, Nevada
Ideal Basic Industries, Inc., Potash Company of America, division,
Carlsbad, New Mexico
Imperial Thermol Products, Inc., Calipatria, California
Independent Salt Company, Kanopolis, Kansas
International Minerals and Chemicals Corporation, Sobin Chemicals,
Inc., Ashtabula, Ohio, and Orrington, Maine
Interpace Corporation, Carey Salt, division, Hutchinson, Kansas
Lake Crystal Salt Company, Ogden, Utah
Leslie Salt Company, Amboy, California; Napa, California; and
Newark, California
Metropolitan Water District of Southern California, Rice, California
Mississippi Chemical Corporation, Carlsbad, New Mexico
Montex Chemical Company, Monahans, Texas
Morton-Norwich Products, Inc., Morton Chemical Company, division,
Weeks Island, Louisiana; Morton Salt Company, division, Fairport,
Michigan; Grand Saline, Texas; Himrod, New York; Hutchinson, Kansas;
Manistee, Michigan; Port Huron, Michigan; Rittman, Ohio: Salt Lake
City, Utah; Silver Springs, New York; and Weeks, Louisiana
B-132
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Producers (cont'd)
National Chloride Company of America, Standard Salt Company, division,
Milligan, California
Northwest Industries, Inc., Michigan Chemical Corporation, subsidiary,
St. Louis, Michigan
Occidental Petroleum Corporation, Hooker Chemical Corporation,
subsidiary, Hooker Chemicals and Plastics Corporation, subsidiary,
Electrochemical and Specialty Chemicals Division, Montague, Michigan;
Niagara Falls, New York; and Taft, Louisiana
Olin Corporation, Agricultural Chemicals Division, Lake Charles,
Louisiana; Industrial Products Division, Mcintosh, Alabama, and
Niagara Falls, New York
Oliver Brothers Salt Company, Mt. Eden, California
Pacific Salt and Chemical Company, Trona, California
Pennwalt Corporation, Chemical Division, Wyandotte, Michigan
Pennzoil Company, Duval Corporation, subsidiary, Carlsbad, New Mexico
Phillips Petroleum Company, Exploration and Production Department,
Borger, Texas
Pioneer Water Company, Inc., Eunice, New Mexico
PPG Industries, Inc., Industrial Chemical Division, Barberton, Ohio;
Corpus Christi, Texas; Lake Charles, Louisiana; and Natrium, West
Virginia
Redmond Clay and Salt Company, Inc., Redmond, Utah
Southwest Salt Corporation, Danby Dry Lake, Cadiz, California
Texas Brine Corporation, Beaumont, Texas; Clemville, Texas; and
Houston, Texas
Union Carbide Corporation, Chemicals and Plastics Division, Institute
and South Charleston, West Virginia; Mining and Metals Division,
Paradox, Colorado
United Salt Corporation, Blue Ridge, Texas, and Hockley, Texas
Utah Salt Company, Wendover, Utah
Vulcan Materials Company, Chemicals Division, Denver City, Texas,
and Witchita, Kansas
Watkins Salt Company, Inc., Watkins Glen, New York
B-133
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Producers (cont'd)
Western Salt Company, Chula Vista, California; Long Beach Salt
Company, division, Ridgecrest, California
U.S. Production: Data for 1978 were reported in terms of amounts "sold
or used by producers." The estimated 1978 amount was 86,000 million
pounds.
U.S. Imports: 10,800 million pounds in 1978.
Use Pattern: The estimated 86,000 million pounds of sodium chloride sold
or used by producers is believed to approximate actual salt consumption.
The consumption pattern has been estimated as follows:
Million
Pounds
47,400 for production of chlorine,sodium hydroxide, and sodium
carbonate
3,320 for production of other chemicals (including dyeing, soap,
rubber, paper and pulp, and miscellaneous chemicals)
5,600 for food processing (e.g., meat packing, canning, baking)
3,700 by feed dealers and mixers
1,600 for industrial uses (ceramics, metals, and oil)
17,000 for highway use (for deicing)
7,400 for other uses (e.g., water-softening)
B-134
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SULFURIC ACID
Class: Inorganics CAS No. 7664-93-9
Physical and Chemical Properties (HjSOj,)
Boiling Point: 330°C
Melting Point: 10.49°C (for the anhydrous acid)
Refractive Index: 1.429 at 20°C
Specific Gravity: 1.834
Vapor Pressure: 1 mm Hg at 145.8°C
Water Solubility: miscible with Ha0
Stability: Extremely hygroscopic, fumes strongly in moist air.
Decomposes at 340°C into sulfur trioxide and water
Producers:
Allied Chem. Corp., Chems. Co., Anacortes, WA; Baton Rouge, LA;
Buffalo, NY; Chicago, IL; Claymont, DE; Elizabeth, NJ; Front Royal, VA;
Geismar, LA; Hopewell, VA; Newell, PA; Nitro, W. VA; Pittsburg, CA; and
Richmond, CA
AMAX Inc., Climax Molybdenum Co., division, Fort Madison, IA, and
Langeloth, PA; AMAX Lead Co. of Missouri, subsidiary, Amax-Homestake
Lead Tollers, Boss, MO; AMAX Zinc Co., Inc. subsidiary, Sauget, IL
American Cyanamid Co., Indust. Chems. Division, Joliet, IL; Linden, NJ;
New Orleans, LA; and Savannah, GA
Armco Inc., Middletown, OH
ASARCO Inc., Columbus, OH; Corpus Christi, TX; East Helena, MT;
El Paso, TX; Hayden, AZ; and Tacoma, WA
Atlantic Richfield Co., The Anaconda Co., subsidiary, Anaconda Copper Co.,
Division, Anaconda, MT
Beker Indust. Corp., Conda, ID, and Taft, LA; Agricultural Products Corp.,
subsidiary, Marseilles, IL
Borden Inc., Borden Chem. Division, Smith-Douglass, Chesapeake, VA;
Piney Point, FL; and Streator, IL
B-135
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roducers (cont'd)
CF Indust., Inc., Central Phosphates, Inc. (Plant City Phosphate
Complex), Plant City, FL, CF Chems. Inc., subsidiary, Bartow, FL
Cities Service Co., Chems. and Minerals Group, Petrochems Div.,
Lake Charles, LA; Columbian Chems. Co., subsidiary, Monmouth Junction,
NJ; Minerals Group , Augusta, GA, and Copperhill, TN
Climax Chem. Co., Monument NM
Columbia Nitrogen Corp., Moultrie, GA
Commonwealth Oil Refining Co., Inc., Ponce, PR
Coulton Chem. Corp., Oregon, OH; Cairo Chem. Corp. subsidiary,
Cairo, OH
Delta Chems., Inc., Searsport, ME
Diamond Shammrock Corp., Oil and Gas Unit, Sunray, TX
Donner-Hanna Coke Joint Venture, Buffalo, NY
E. I. du Pont de Nemours & Co., Inc., Chems. Dyes and Pigments Dept.,
Burnside, LA; Cleveland, OH; Deepwater, NJ; East Chicago, IN;
Gibbstown, NJ; La Porte, TX; Linden, NJ; North Bend, OH; Richmond,
VA; and Wurtland, KY
Eastman Kodak Co., Eastman Organic Chems., Rochester, NY
Engelhard Minerals & Chems. Corp., Philipp Brothers Div., Conserv
Dept., Nichols, FL; National Zinc Co., subsidiary, Bartlesville, OK
Esmark, Inc., Estech Gen. Chems. Corp., Bartow, FL; Calumet City, IL;
and Dothan, AL
Essex Chem. Corp., Indust. Chems. Division, Newark, NJ
Farmland Indust. Inc., Green Bay, FL
First Mississippi Corp., FIRSTMISS INC., subsidiary, Fort Madison, IA
Freeport Minerals Co., Freeport Chem. Co., division, Uncle Sam, LA
Gardinier Big River Inc., Gardinier Inc., subsidiary, U.S. Phosphoric
Products, Tampa, FL
Georgia-Pacific Corp., Chem. Division, Bellingham, HA
W. R. Grace & Co., Agricultural Chems. Group, Bartow, FL; Charleston,
SC; and Joplin, MO; Bartow Chem. Products, Bartow, FL
Gulf Oil Corp., Gulf Oil Chems. Co., Petrochems. Division, Port Arthur,
Gulf Resources & Chem. Corp., The Bunker Hill Co., subsidiary,
Kellogg, ID
B-136
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Producers (cont'd)
Gulf & Western Indust., Inc., The New Jersey Zinc Co., division,
Palmerton, PA
Indust. Chems. Corp., Penuelas, PR
Inspiration Consolidated Copper Co., Inspiration, AZ
Internat'l Minerals & Chem. Corp., Fertilizer Group, New Wales, FL
Kennecott Copper Corp., Kennecott Minerals Co., subsidiary, Chino
Mines Division, Hurley, NM; Ray Mines Division, Hayden, AZ; and Utah
Copper Division, Salt Lake City, UT
Kerr-McGee Corp., Kerr-McGee Nuclear Corp., subsidiary, Grants, NM
L. J. & M. La Place Co., Edison, NJ
Minnesota Mining and Mfg. Co., Chem. Resources Division, Copley, OH
Mississippi Chem. Corp., Pascagoula, MS
Mobil Corp., Mobil Oil Corp., Mobil Chem. Co., division, Phosphorus
Division, Depue, IL, and Pasadena, TX
Monsanto Co., Monsanto Chem. Intermediates Co., Avon, CA; Eldorado, AR
Everett, MA; and Sauget, IL
National Distillers and Chem. Corp., Chems. Division, U.S. Indust.
Chems. Co., division, De Soto, KS; Dubuque, IA; and Tuscola, IL
Newmont Mining Corp., Magma Copper Co., subsidiary, San Manuel Div.,
San Manuel, AZ
N L Indust., Inc., NL Chems. division, Sayreville, NJ
Northeast Chem. Co., Wilmington, NC
N-Ren Corp., North Star Division, Pine Bend, MN
Occidental Petroleum Corp., Hooker Chem. Corp., subsidiary,
Agricultural Products Group, Ag Products East Div., White Springs,
FL; Ag Products West Div., Lathrop, CA
Olin Corp., Olin Chems. Group, Beaumont, TX; Curtis Bay, MD; North
Little Rock, AR; and Shreveport, LA
Pennwalt Corp., Ozark-Mahoning Co., subsidiary, Tulsa, OK
Pfizer Inc., Minerals, Pigments & Metals Div., Easton, PA
Phelps Dodge Corp., Ajo, AZ; Hidalgo, NM; and Morenci, AZ; Western
Nuclear, Inc., subsidiary, Jeffrey City, WY, and Riverton, WY
Pressure Vessel Service Inc., Bay Chem. Co., subsidiary, Bay City, MI
B-137
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Producers (cont'd)
Reichhold Chems., Inc., Tuscaloosa, AL
Rohm and Haas Co., Rohm and Haas Texas Inc., subsidiary, Deer Park, TX
Royster Co., Mulberry, FL
St. Joe Minerals Corp., Herculaneum, MO
Shell Chem. Co., Wood River, IL
Simplot Co., Minerals and Chem. Div., Pocatello, ID
Southern States Phosphate & Fertilizer Co., Savannah, GA
Standard Oil Co. of California, Chevron U.S.A. Inc., subsidiary,
El Segundo, CA, and Honolulu, HI
Standard Oil Co. (Indiana), Amoco Oil Co., subsidiary, Texas City, TX
Stauffer Chem. Co., Indust. Chem. Div., Baton Rouge, LA; Baytown, TX;
Dominguez, CA; Fort Worth, TX: Hammond, IN; Houston, TX; Le Moyne, AL;
Martinez, CA; and Pasadena, TX
Texaco Inc., Petrochem. Dept., Port Arthur, TX
Texasgulf Inc., Texasgulf Chem. Co., Aurora, NC
Union Carbide Corp., Metals Div., Uravan, CO
Union Oil Co. of California, Union Chems. Div., Wilmington, CA
United States Steel Corp., USS Agri-Chemicals Div., Bartow, FL; Fort
Meade, FL; and Wilmington, NC
Valley Nitrogen Producers, Inc., Helm, CA
Weaver Fertilizer Co., Inc., Norfolk, VA
Wheeling-Pittsburgh Steel Corp., Follansbee, W. VA
The Williams Companies, Agrico Chem. Co., subsidiary, Bartow, FL,
and Donaldsonville, LA
Witco Chem. Corp., Sonneborn Div., Petrolia, PA
Wright Chem. Corp., Acme, NC
U.S. Production: Commercial production of sulfuric acid (gross, new, and
fortified) in 1978 was 82,175 million pounds.
U.S. Imports: 600 million pounds in 1978.
B-138
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Use Pattern: 1978 U.S. consumption of sulfuric acid is estimated to have
been approximately 79,000 million pounds. The consumption pattern has
been estimated as follows:
Million
Pounds
51,745
for
fertilizers
4,029
for
petroleum refining
3,239
for
copper
3,160
for
ammonium sulfate
2,133
for
alcohols
1,738
for
titanium oxide
1,659
for
hydrofluoric acid
1,422
for
uranium/vanadium ore processing
1,422
for
aluminum sulfate
948
for
cellulosics
711
for
iron and steel pickling
632
for
surface active agents
395
for
batteries
79
for
phenol
5,688
for
all other uses
B-139
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SODIUM HYPOCHLORITE
Class: Inorganics CAS No. 7681-52-9
Physical and Chemical Properties (NaOCl*5HaO)
Boiling Point: no data
Melting Point: 18°C
Refractive Index: no data
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 29.3 g/100 ml Ha0 at 0°C
Stability: Sodium hypochlorite (pentahydrate) is highly unstable and is
decomposed by C02 from the air. Anhydrous sodium hypochlorite is very
explosive.
Producers: The manufacture of sodium hypochlorite (mainly for use in bleaches)
is a relatively simple operation, and there are many producers. The
following list of producers should not be considered as complete:
James Austin Company, Inc., Mars, PA
Barton Chemical Corporation, Chicago, IL
Burris Chemical, Inc., Augusta, GA
The Clorox Company, Household Products Division, Boston, MA; Caguas, PR;
Charlotte, NC; Chicago, IL; Cleveland, OH; Forest Park, GA; Frederick, MD;
Houston, TX; Jersey City, NJ; Kansas City, MO; Los Angeles, CA;
Oakland, CA; and Tampa, FL
Diamond Shamrock Corporation, Indust. Chems. and Plastics Unit, Soda
Products Division, Fort Lauderdale, FL
Dixie Chemical Company, Bayport, TX
Fields Point Mfg. Corporation, Providence, RI
Georgia-Pacific Corporation, Chemical Packaging Division, Auburn, WA;
City of Commerce, CA; Phoenix, AZ; and Richmond, CA
Hachik Bleach Company, Philadelphia, PA
High Point Chemical Corporation, High Point, NC
Hill Brothers Chemical Company, Phoenix, AZ
Hydrite Chemical Company, Milwaukee, WI
B-140
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Producers (cont'd)
ICC Indust., Inc., Chemical Divisions, Dover Chem. Corp., subsidiary,
Dover, OH
Imperial West Chemical Company, Antioch, CA
Internat'l Minerals & Chem. Corp., IMC Chem. Group, Electrochemicals
Div., Orrington, ME
K.A. Steel Chems., Inc., Steelco Chem. Corp., subsidiary, Lemont, IL
H. Kohnstamm & Co., Inc., Marzahl Chem. Co., division, Kearny, NJ
Kuehne Chem. Co., Inc., Linden, NJ
Mobay Chem. Corp., Indust. Chems. Division, Cedar Bayou, TX
North American Philips Corp., Thompson-Hayward Chem. Co., subsidiary,
Dallas, TX; Kansas City, KS; Memphis, TN; Powder Springs, GA;
St. Gabriel, LA; Tampa, FL; and Thomasville, NC
Pennwalt Corp., Inorganic Chem. Division, Portland, OR, and Tacoma,
WA
Purex Corp., Atlanta, GA; Auburndale, FL; Bristol, PA; Chicago, IL;
Dallas, TX; Denver, CO; New Orleans, LA; St. Louis, MO; St. Paul,
MN; Salem, VA; South Gate, CA; Tacoma, WA; and Toledo, OH
Scott Paper Co., Packaged Products Division, Mobile, AL; S. D. Warren
Co. Division, Westbrook, ME
UGI Corp., SEC Division, Albuquerque, NM
U.S. Production: Production data for 1978 were not available; however,
commercial production (excluding amounts used for pulp and paper
bleaching) was 143 million pounds in 1975.
U.S. Imports: No separate data on imports of sodium hypochlorite were
available.
Use Pattern: Sodium hypochlorite is used primarily as a bleaching agent
for household and laundry use, in the paper, pulp, and textile
industries; and in alpha-olefin sulfonate production. It is also used
as a disinfectant in water and for glass and ceramics.
B-141
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NICKEL DICHLORIDE
Class: Inorganics CAS No. 7718-54-9
Physical and Chemical Properties (NiCl2) (data on the hexahydrate later)
Boiling Point: sublimes at 973°C
Melting Point: 1001°C
Refractive Index: 1.61
Specific Gravity: 3.55
Vapor Pressure: 1 nun Hg at 671°C
Water Solubility: 64.2 g/100 cc HaO at 20°C;
87.6 g/100 cc H20 at 100°C
Stability: Nickel dichloride (anhydrous) is sublimable in the absence of
air.
Producers;
Allied Chemical Corporation Chemicals Company, Marcus Hook, Pennsylvania
C. P. Chemicals, Inc., Sewaren, New Jersey
Gulf Oil Corporation, Harshaw Chemical Company, subsidiary,
Industrial Chemicals Department, Cleveland, Ohio
The Hall Chemical Company, Wickliffe, Ohio
Harstan Chemical Corporation, Brooklyn, New York
McGean Chemical Company, Inc., Cleveland, Ohio
M and T Chemicals, Inc., East Chicago, Indiana, and Pico Rivera,
California
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
U.S. Production: Data not available.
U.S. Imports: 70,000 pounds in 1978.
Use Pattern: Nickel dichloride is used almost exclusively as an ingredient
of nickel electroplating baths and in the electrolytic refinement of
nickel. Small quantities are also used in the production of diphenylamine.
B-142
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Physical and Chemical Properties (NiCl2*6H20)
Boiling Point: no data
Melting Point: no data
Refractive Index: ^1.57
Specific Gravity: no data
Vapor Pressure: no data
Water Solubility: 254 g/100 cc H2O at 20°C;
599 g/100 cc H20 at 100°C
B-143
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FERROUS SULFATE
Class: Inorganics CAS No. 7720-78-7
Physical and Chemical Properties (FeS0<,*H20} (data on other hydrated
forms later)
Boiling Point: no data
Melting Point: no data
Refractive Index: no data
Specific Gravity: 2.970 at 25°C
Vapor Pressure: no data
Water Solubility: slightly soluble in cold water
Stability: Ferrous sulfate (monohydrate) loses water at about 300°C and
decomposes at higher temperatures.
Producers:
Brewer Chemical Corporation, Honolulu, Hawaii
Chemwest Industries Inc., Cloverdale, California, and Fontana,
California
The Cosmin Corporation, Baltimore, Maryland
J. M. Huber Corporation, Calcium Carbonate Company, division,
Saint Louis, Missouri
Liquid Chemical Corporation, Hanford, California
N L Industries, Inc., N L Chemicals, division, Sayreville, New Jersey
Quality Chemicals Limited, Baltimore, Maryland
SCM Corporation, Chemical/Metallurgical Division, Glidden Pigments
Group, Baltimore, Maryland
U.S. Production; Production data have been withheld since 1971 to avoid
disclosing figures for individual companies; in 1971, U.S. production
of ferrous sulfate heptahydrate was 324 million pounds.
U.S. Imports: 9.3 million pounds in 1978.
B-144
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Use Pattern: Estimated consumption pattern for 1978 was:
80% for production of iron oxide pigments, salts, and ferrites
8% as trace compounds in fertilizers and stockfeed
5% for water and sewage treatment
3% as a catalyst
4% for miscellaneous other applications.
physical and Chemical Properties (FeS0A*4H20)
Boiling Point: no data
Melting Point: no data
Refractive Index: 1.533, 1.535
Specific Gravity: 2.23-2.29
Vapor Pressure: no data
Water Solubility: no data
Physical and Chemical Properties (FeS0<,*5H20)
Boiling Point: no data
Melting Point: loses 5H20 at 300°C
Refractive Index: 1.526, 1.536, 1.542
Specific Gravity: 2.2
Vapor Pressure: no data
Water Solubility: soluble in water
Physical and Chemical Properties (FeS0i,,7H20)
Boiling Point: loses 7H20 at 300°C
Melting Point: loses 6H20 at 64°C; melts at 90°C
Refractive Index: 1.471, 1.478, 1.486
Specific Gravity: 1.898
Vapor Pressure: no data
Water Solubility: 15.65 g/100 cc cold water;
48.6 g/100 cc H20 at 50°C
B-145
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ZINC SULFATE
Class: Inorganics CAS No. 7733-02-0
Physical and Chemical Properties (ZnSOi.) (data on hydrated forms later)
Boiling Point: no data
Melting Point: decomposes at 600°C
Refractive Index: 1.658, 1.669, 1.670
Specific Gravity: 3.74 at 15°C
Vapor Pressure: no data
Water Solubility; 1 g/°'6 ml R2°
Producers:
ASARCO Inc., Corpus Christi, Texas
Brewer Chem. Corp., Honolulu, Hawaii
Chem. & Pigment Co., Pittsburg, California
C.P. Chems. Inc., Sewaren, New Jersey, and Sumter, South Carolina
Eagle-Picher Indust., Inc., Agricultural Chems. Div., Cedartown,
Georgia; Fairbury, Nebraska; and Galena, Kansas
Frit Indust., Inc., Walnut Ridge, Arkansas
Liquid Chem. Corp., Hanford, California
Madison Indust., Inc., Old Bridge, New Jersey
Maryland Zinc & Research Co., Cockeysville, Maryland
Philipp Brothers Chems., Inc., The Prince Mfg. Co., subsidiary,
Bowmanstown, Pennsylvania, and Quincy, Illinois
Rad Services, Inc., Rad Chem. Co., subsidiary, Bowling Green, Kentucky
Richardson-Merrell, Inc., J. T. Baker Chem. Co., subsidiary,
Phillipsburg, New Jersey
Virginia Chems. Inc., Indust. Chems. Dept., Portsmouth, Virginia
Woolfolk Chem. Works. Inc., Fort Valley, Georgia
U.S. Production: Commercial production was 61.4 million pounds in 1978.
U.S. Imports: 12.6 million pounds in 1978.
B-146
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Use Pattern: The 1978 estimated demand for zinc sulfate was 100 million
pounds. The following consumption pattern for 1978 has been reported:
60% agriculture (micronutrient and fungicide)
10% rayon
30% all other (water treatment, chemical manufacture, flotation
reagents, etc .) .
Physical and Chemical Properties
ZnS0z.*6H20
ZnSOWHzO
Boiling Point:
loses 7H20
at 280°C
Melting Point:
loses 5H20
at 70°C
100°C
Refractive Index:
1.457;
1.480:
1.484
Specific Gravity:
2.072 at
15°C
1.957 at
25°C
Vapor Pressure:
Water Solubility:
(g/100 cc H20)
117.5 at
40°C
96.5 at 20°C;
663.6 at 100°C
B-147
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COPPER SULFATE
Class: Inorganics CAS No. 7758-98-7
Physical and Chemical Properties (CuSOi,) (data on the pentahydrate later)
Boiling Point: decomposes to CuO at 650°C
Melting Point: decomposes slightly above 200°C
Refractive Index: 1.733
Specific Gravity: 3.603
Vapor Pressure: no data
Water Solubility: 14.3 g/100 cc H2O at 0°C;
75.4 g/100 cc H20 at 100°C
Producers:
Atlantic Richfield Company, The Anaconda Company, subsidiary,
Anaconda Copper Company Division, Great Falls, Montana
Cities Service Company, Minerals Group, Copperhill, Tennessee
C. P. Chemicals, Inc., Sewaren, New Jersey
Eagle-Picher Industries, Inc., Agricultural Chemicals Division,
Cedartown, Georgia; Fairbury, Nebraska; and Galena, Kansas
Frit Industries, Inc., Walnut Ridge, Arkansas
Hastan Chemical Corporation, Brooklyn, New York
Imperial West Chemical Company, Antioch, California
Kocide Chemical Company, Houston, Texas
Liquid Chemical Corporation, Hanford, California
Madison Industries, Inc., Old Bridge, New Jersey
Phelps Dodge Corporation, Phelps Dodge Refining Corporation,
subsidiary, El Paso, Texas; Maspeth, New York; and Saint Ann, Missouri
Philipp Brothers Chemicals, Inc., The Prince Manufacturing Company,
sxibsidiary, Bowmanstown, Pennsylvania, and Quincy, Illinois
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
Southern California Chemical Company, Inc., Bayonne, New Jersey;
Garland, Texas; Santa Fe Springs, California; and Union, Illinois
Univar Corporation, Van Waters and Rogers, division, Kent, Washington,
and Pinehurst, Idaho
B-148
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U.S. Production; Production of commercial grade copper sulfate (99%
CuS0i.*5H20) estimated at 70.2 million pounds in 1978.
U.S. Imports: 7.5 million pounds in 1978.
Use Pattern: The 1978 consumption of copper sulfate is estimated to
have been 68.4 million pounds, used as follows: 24.2 million
pounds in agriculture and 44.2 million pounds in industry.
Agricultural uses are in the manufacture of fungicides, insecticides,
and algicides; in seed treatment and soil amendment; and as a nutrient
in animal and poultry feeds. Industrial uses include use in petroleum
refining (sweetening process) and dyes; as a processing aid in the
flotation of cobalt, lead, and zinc ores; as a preservative for wood
and animal hides; and as an intermediate in the production of other
copper compounds.
Physical and Chemical Properties (CuS0J.»5H20)
Boiling Point: loses 5H2O at 150°C
Melting Point: loses 4H2O at 110°C
Refractive Index: 1.514, 1.537, 1.543
Specific Gravity: 2.284
Vapor Pressure: no data
Water Solubility: 31.6 g/100 cc H2O at 0°C;
203.3 g/100 cc Ha0 at 100°C
B-149
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CALCIUM HYPOCHLORITE
Class: Inorganics CAS No. 7778-54-3
Physical and Chemical Properties [Ca(C10)2]
Boiling Point: no data
Melting Point: decomposes at 100°C
Refractive Index: 1.545, 1.69
Specific Gravity: 2.35
Vapor Pressure: no data
Water Solubility: decomposes in H20
Producers:
Barton Chemical Corporation, Chicago, Illinois
BASF Wyandotte Corporation, Industrial Chemicals Group, Basic
Chemicals Division, Wyandotte, Michigan
Olin Corporation, Olin Chemicals Group, Charleston, Tennessee, and
Niagara Falls, New York
PPG Industries, Inc., Chemicals Group, Chemical Division-United
States, Barberton, Ohio
U.S. Production: Production data for 1978 were not available; however,
commercial production was approximately 140 million pounds in 1975.
U.S. Imports: Imports in 1978 were 2.2 million pounds.
Use Pattern: The 1976 demand for calcium hypochlorite was estimated to be
approximately 146 million pounds. The estimated consumption pattern
was: 124 million pounds for swimming pool sanitation and other bleaching
and sanitation (municipal and industrial) uses; and 22 million pounds
for export.
B-150
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CHLORINE
Class; Inorganics CAS No. 7782-50-5
Physical and Chemical Properties (CIa)
Boiling Point: -34.05°C (at 239.10°K)
Melting Point: -101°C (at 172.15°K)
Refractive Index: gas» 1.000768; liquid, 1.367
Specific Gravity: liquid, 1.41 at 20°C and 6.864 atmos.
Vapor Pressure: 4800 mm Hg at 20°C
Water Solubility: 0.092 moles/liter at 25°C
Stability: Chlorine is very reactive and combines readily with all
elements except the rare gases (xenon excluded) and nitrogen.
Producers:
Allied Chemical Corporation Chemicals Company, Moundsville, West
Virginia
Aluminum Company of America, Point Comfort, Texas
American Magnesium Company, Snyder, Texas
BASF Wyandotte Corporation, Industrial Chemicals Group, Basic
Chemicals Division, Geismar, Louisiana
Brunswick Pulp and Paper Company, Brunswick Chemical Company,
division, Brunswick, Georgia
Champion International Corporation, Champion Papers Division-
Chemicals and Associated Products, Canton, North Carolina, and
Pasadena, Texas
Diamond Shamrock Corporation, Industrial Chemicals and Plastics Unit,
Electro Chemicals Division, Deer Park, Texas; Delaware City, Delaware;
La Porte, Texas; Mobile, Alabama; and Muscle Shoals, Alabama
Dow Chemical U.S.A., Freeport, Texas; Midland, Michigan; Oyster Creek,
Texas; Pittsburg, California; and Plaquemine, Louisiana
E. I. du Pont de Nemours and Company, Inc., Chemicals, Dyes and
Pigments Department, Memphis, Tennessee, and Niagara Falls, New York;
Petrochemicals Department, Freon Products Division, Corpus Christi, Texas
B-151
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Producers (cont'd):
Ethyl Corporation, Chemicals Group, Baton Rouge, Louisiana, and
Pasadena, Texas
FMC Corporation, Industrial Chemical Group, South Charleston, West
Virginia
General Electric Company, Plastics Business Division, Mount Vernon,
Indiana
Georgia-Pacific Corporation, Chemical Division, Bellingham, Washington,
and Plaquemine, Louisiana
The BF Goodrich Company, BF Goodrich Chemical Division, Calvert City,
Kentucky
Hercules Inc., Hopewell, Virginia
ICI Americas Inc., Petrochemicals Division, Baton Rouge, Louisiana
International Minerals and Chemical Corporation, IMC Chemical Group,
Electrochemicals Division, Ashtabula, Ohio: Niagara Falls, New York;
and Orrington, Maine
Kaiser Aluminum and Chemical Corporation, Kaiser Chemicals Division,
Gramercy, Louisiana
Linden Chemicals and Plastics, Inc., LCP Chemicals Division,
Acme, North Carolina: Brunswick, Georgia; Linden, New Jersey; and
Syracuse, New York
Mobay Chemical Corporation, Industrial Chemicals Division,
Cedar Bayou, Texas
Monsanto Company, Monsanto Chemical Intermediates Company, Sauget,
Illinois
NL Industries, Inc., NL Chemicals, division, Magnesium Division,
Rowley, Utah
Occidental Petroleum Corporation, Hooker Chemical Corporation,
subsidiary, Industrial Chemicals Group, Operations Division,
Montague, Michigan; Niagara Falls, New York; Tacoma, Washington;
and Taft, Louisiana
Olin Corporation, Olin Chemicals Group, Augusta, Georgia; Charleston,
Tennessee; Mcintosh, Alabama; and Niagara Falls, New York
B-152
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Producers (cont'd):
Pennwalt Corporation, Inorganic Chemical Division, Calvert City,
Kentucky; Portland, Oregon; Tacoma, Washington; and Wyandotte,
Michigan
PPG Industries, Inc., Chemicals Group, Chemical Division-United States,
Barberton, Ohio; Lake Charles, Louisiana; and Natrium, West Virginia
RMI Company, Ashtabula, Ohio
Shell Chemical Company, Deer Park, Texas
Stauffer Chemical Company Industrial Chemical Division, Henderson,
Nevada; Le Moyne, Alabama; and Saint Gabriel, Louisiana
Vertac Chemical Corporation, Vicksburg, Mississippi
Vulcan Materials Company Chemicals Division, Denver City, Texas;
Geismar, Louisiana: and Wichita, Kansas
Weyerhaeuser Company, Longview, Washington
U.S. Production: Estimated commercial production in 1978 was 22,068
million pounds.
U.S. Imports: Imports in 1978 were 179.4 million pounds.
Use Pattern: Estimated 1974 consumption was 21,370 million pounds. The
estimated use pattern was:
47%
for
organic chemicals (including solvents)
19%
for
vinyl chloride
15%
for
pulp and paper
10%
for
inorganic chemicals
5%
for
sanitation and water treatment
4%
for
other uses
B-153
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HYDROGEN SULFIDE
Class; Inorganics CAS No. 7783-06-4
Physical and Chemical Properties (H2S)
Boiling Point: -60.4°C
Melting Point: -85.5°C
Refractive Index: 1.374 (liquid)
Specific Gravity: 1.539 g/L at 0°C and 760 mm Hg
Vapor Pressure: 20 atm. at 25.5°C
Water Solubility: 1 g per 187 ml H20 at 10°C:
1 g per 242 ml H20 at 20°C;
1 g per 314 ml H20 at 30°C
Stability: Water solutions of H2S are not stable since the absorbed
oxygen causes the formation of elemental sulfur and the solutions
rapidly become turbid.
Producers:
Air Products and Chemicals, Inc., Specialty Gas Department,
Hometown, Pennsylvania
Mobil Corporation, Mobil Oil Corporation, United States Division,
Beaumont, Texas
Montana Sulphur and Chemical Company, East Billings, Montana
PPG Industries, Inc., Chemicals Group, Chemical Division-United States,
Natrium, West Virginia
G.D. Searle and Company, Will Ross, Inc., subsidiary, Matheson Gas
Products, division, Cucamonga, California; East Rutherford, New Jersey;
Gloucester, Massachusetts; Joliet, Illinois; La Porte, Texas;
Morrow, Georgia; and Newark, California
U.S. Production: Production data for 1978 were not available, and data
were not found for earlier years. The greatest quantities of hydrogen
sulfide produced are obtained as by-products of other operations (e.g.,
natural gas, petroleum, and coal-coking operations).
B-154
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U.S. Imports: No data for 1978 were available.
Use Pattern: Used primarily as an intermediate in the production of such
chemicals as sulfuric acid (in 1977, 594 million pounds were consumed),
elemental sulfur, various sulfides, and organic sulfur compounds. It
may also be used as an additive in extreme-pressure lubricants, in
cutting oils, and as a laboratory reagent.
B-155
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MANGANOUS SULFATE
Class: Inorganics CAS No. 7785-87-7
Physical and Chemical Properties (MnSOi.) (data on hydrated forms later)
Boiling Point: decomposes at 850°C
Melting Point: 700°C
Refractive Index: no data
Specific Gravity: 3.25
Vapor Pressure: no data
Water Solubility: 52 g/100 cc H20 (cold);
70 g/100 cc HaO (at 70°C)
Producers:
Eagle-Picher Industries, Inc., Agricultural Chemicals Division,
Cedartown, Georgia; Fairbury, Nebraska; and Galena, Kansas
Eastman Kodak Company, Eastman Chemical Products, Inc., subsidiary,
Tennessee Eastman Company, Kingsport, Tennessee
Philipp Brothers Chemicals, Inc., The Prince Manufacturing Company,
subsidiary, Bowmanstown, Pennsylvania
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
U.S. Production: Production information for 1978 as well as for the
previous four years was withheld to avoid disclosing figures for
individual companies.
U.S. Imports: 0.1 million pounds in 1978.
Use Pattern: The 1977 estimated demand was 109.4 million pounds. The
following consumption pattern for 1977 has been reported:
80% fertilizer and stock feed nutrient
20% fungicide and other uses (mostly in the chemical and paper
industries).
B-156
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Use Pattern (cont'd):
Industrial applications include use as (1) a depolymerization catalyst
in the viscose rayon process, (2) an intermediate for pure manganese (via
electrolysis), oxidation catalysts, paint-driers, and for other manganese
salts, and (3) a dyeing and printing agent. Manganous sulfate is also
one of several salts used as a dietary supplement to incorporate
manganese into the human diet.
B-157
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Physical and Chemical Properties of Hydrated Forms of Manganous Sulfate
MnS0„«H20 MnS0<.*2H20 MnS0<.«3H20 MnSO^HjO MnSOv^HjO MnS0„»6H20 MnS0<,«7H2Q
Melting Point:
stable,
57-117°C
stable, stable, stable, stable, stable, loses 7H20
57-117°C 30-40°C 26-27°C 9-26°C +5 to +8°C at 280°C
Refractive Index:
1.562;
1.595;
1.632
no data no data
1.508;
1.522
1.495;
1.508;
1.514
no data no data
W
I
i_n
oo
Specific Gravity: 2.95
Water Solubility:
(g/100 cc Ha0)
98.47
at 48°C;
79.8
at 100°C
2.526
at 15°C
85.27
at 35°C;
106.8
at 55°C
2.356
at 15°C
74.22
at 5°C;
99.31
at 57°C
2.107
105.3
at 0°C;
111.2
at 54°C
2.103
at 15°C
124
at 0°C;
142
at 54°C
no data
147.4 in
cold H20;
1.345
at 38°C
2.09
172 in
cold H20;
118
at 13°C
•k
Data on boiling point and vapor pressure were not available on any of these forms.
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NICKEL SULFATE
Class: Inorganics CAS No. 7786-81-4
Physical and Chemical Properties (NiSOi.) (data on hydrated forms later)
Boiling Point: no data
Melting Point: decomposes at 848°C
Refractive Index: no data
Specific Gravity: 3.68
Vapor Pressure: no data
Water Solubility: 29.3 g/100 cc H2O at 0°C;
83.7 g/100 cc H20 at 100°C
Producers:
ASARCO Inc., Federated Metals Corporation, subsidiary, Whiting,
Indiana
Associated Metals and Minerals Corporation, Gulf Chemical and
Metallurgical Company, division, Texas City, Texas
C.P. Chemicals, Inc., Sewaren, New Jersey
Gulf Oil Corporation, Harshaw Chemical Company, subsidiary,
Industrial Chemicals Department, Cleveland, Ohio
Harstan Chemical Corporation, Brooklyn, New York
Kennecott Copper Corporation, Kennecott Minerals Company, subsidiary,
Kennecott Refining Corporation, subsidiary, Baltimore, Maryland;
Utah Copper Division, Salt Lake City, Utah
McGean Chemical Company, Inc., Cleveland, Ohio
M and T Chemicals, Inc., East Chicago, Indiana, and Pico Rivera,
California
PVO International, Inc., Boonton, New Jersey
Richardson-Merrell, Inc., J. T. Baker Chemical Company, subsidiary,
Phillipsburg, New Jersey
B-159
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U.S. Production: Data for 1978 were not available; however, commercial
production of nickel sulfate (1007. NiS0;«*6H20) in 1977 was approximately
14 million pounds.
U.S. Imports: 0.4 million pounds in 1978.
Use Pattern: It has been estimated that approximately half of the nickel
sulfate consumed annually is used as a specialty chemical in metal
finishing (i.e., electroplating, electrofarming, and electroless
plating of nickel). The other half is used as an intermediate in
specialty chemical and catalyst production. The minor applications of
this chemical include use as a mordant in dyeing and printing textiles
and ceramics.
Physical and Chemical Properties (NiS0A*6H20)
Boiling Point: loses 6H20 at 103°C
Melting Point: 53.3°C (transition point)
Refractive Index: 1.511
Specific Gravity: 2.07
Vapor Pressure: no data
Water Solubility: 62.52 g/100 cc H20 at 0°C;
340.7 g/100 cc H20 at 100°C
Physical and Chemical Properties (NiSO*.• 7H20)
Boiling Point: loses 6H20 at 103°C
Melting Point: 99°C (loses H20 at 31.5°C)
Refractive Index: 1.467, 1.489, 1.492
Specific Gravity: 1.948
Vapor Pressure: no data
Water Solubility: 75.6 g/100 cc H20 at 15.5°C:
475.8 g/100 cc H20 at 100°C
B-160
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