United States
                     Environmental Protection
                     Agency
Industrial Environmental
Research Laboratory
Cincinnati OH 45268
                     Research and Development
EPA-600/S2-84-032 May 1984
4>EPA          Project  Summary
                    The Organic  Dyes  and  Pigments
                     Data  Base
                     L Swett, A. Twhigg, and K.E. McCaleb
                      This report summarized herein describes
                    the work done on a project to es-
                    tablish an Organic Dyes and Pigments
                    Data Base (ODPDB) as an extension of
                    the Organic Chemical Producers Data
                    Base (OCPDB) which has been maintained
                    by the EPA since 1976.
                      The ODPDB was conceived of as the
                    first of a series of supplements to the
                    OCPDB  to  be  focused on various
                    sectors  of the  chemical  industry.
                    Specifications for the data elements
                    and formatting closely follow the
                    revised OCPDB specifications established
                    in 1980, with  minor modifications
                    reflecting the nature of the entries.
                      Over 1,400 chemical products are
                    included  in the  ODPDB,  representing
                    virtually all synthetic organic dyes and
                    pigments produced or imported in the
                    U.S. at economically significant levels.
                    The data base was developed from nine
                    subcategories containing structurally
                    related groupings of 75-400 chemicals
                    each.  Sources for the data collected
                    include various on-line data banks,
                    government statistical and research
                    publications, standard industry hand-
                    books, and the expertise of the staff in
                    several ongoing SRI programs.
                      The entry format was designed to be
                    compatible with the  System 2000®
                    data base management system imple-
                    mented in 1979 and currently in use for
                    the revised OCPDB. When placed on
                    System 2000, retrieval of data will be
                    possible in the same manner as with the
                    revised OCPDB, using a variety of "key"
                    data elements to correlate the data
                    needed.
                      This Project Summary was developed
                    by EPA's Industrial  Environmental
                    Research Laboratory.  Cincinnati. OH,
                    to announce key findings of the research
                    project that is fully documented in  a
separate report of the same title (see
Project Report ordering information at
back).
Introduction
  The Organic Dyes and Pigments Data
Base (ODPDB) was  designed to  be a
specialized extension  of the Organic
Chemical Producers Data Base (OCPDB),
focusing exhaustively on a specific use
area  within the chemical industry. The
OCPDB was  originally intended  as a
catalog of large-volume industrial chem-
icals; it was initiated in 1976 using a list of
380  chemicals and was revised and
expanded in 1980 to include petrochem-
ical feedstocks, priority  pollutant chemi-
cals,  and other large-volume products.
The  ODPDB  represents an  emphasis
distinct from the existing OCPDB since it
is an attempt at a comprehensive catalog
of one specific industry area rather than a
cross-industry comparison of a small
number of important individual products.
The  ODPDB  contains an enormous
number of product entries, since a much
lower minimum volume was employed as
a basic criterion than  in  the OCPDB. This
effect was coupled with a decrease in the
average amount of data per product entry,
since many of the  products are obscure
and the particular industry is highly pro-
prietary. Data elements which were
sought, but for which information was
seldom or  never found, included use
volume and percent consumption, Thres-
hold  Limit  Values, Sax Ratings,  plant
capacities, and Wiswesser Line Notations.

Discussion and Procedure
  Although the  intent in preparing the
ODPDB was  to adhere as closely as
possible to the model of the revised
OCPDB, certain modifications became

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necessary as a result of the specialized
nature of the data. Table 1 lists the data
elements included in the ODPDB.
Table 1.
Entry I.D.
Data Elements in the ODPDB
Chemical Related Data
  ODPDB Product Name
  CAS Number
  New Chemical Marker
  Priority Pollutant Marker
  Wiswesser Line Notation
  Process I.D.
  Process Description
  Process IPPEU Number
  Use Description
  Use Volume
  Use by % Consumption
  Synonym
  Emission Description
Toxicity Data
  NIOSH Registry Number
  LDso Mode
  LDso Species
  LDso Amount
  LDso Units
  /.OLD Mode
  LD\.o Species
  /.OLD Amount
  LDi_o Units
  T£>LO Mode
  TD\_o Species
  TDi.o Amount
  TD\_0 Units
  AQTX
  TLV
  TLV Units
  Sax Rating
Economic Data
  Year
  Production Volume
  Unit Cost
  Sales
Producer Related Data
  Plant ID
  Plant Capacity
  Production Range
  Company Name
  City
  State
  State Code
  River Basin Name
  River Basin Code
  Parent Company
were added to the toxicity data compiled
from the NIOSH Registry of Toxic Effects
of Chemical Substances (RTECS) on-line
system. Because data on imported dyes
and pigments cannot be accommodated in
the ODPDB format, the data on volume of
imports were supplied in a table appended
to the Project Report.
  The criteria for inclusion of chemicals
in the  ODPDB were  established in
accordance  with the United  States
International Trade Commission (USITC)
definition of  minimum commercially
significant  production  as  given in the
publication Synthetic Organic Chemicals.
U.S. Production and Sales:  5,000 pounds
annual production for dyes, 1,000 pounds
for  pigments. Candidates for inclusion in
the ODPDB had to meet this standard in
either 1978 or 1979 and the same cut-off
levels were applied to imported products.
Only  products identified with  Colour
Index (C.I.) names were included, since
compilation  of any  data other  than
imports volume required this item of
information. Some of these products did
not have C.I. numbers or process descrip-
tions;  however, these products are
included in the data base since it  was
found that a large amount of information
on a product could be derived even if the
chemical structure and/or process route
were unknown or proprietary.
  Products were grouped in structurally
similar  classes following the  Colour
Index system of organization, and these
structural classes were then arranged in
the nine subtasks shown in Table 2. (Note
that these subclasses were used only as
an  aid in  data collecting and are not
specifically indicated in the ODPDB). Five
digit entry ID numbers were then assigned
to the products alphabetically within the
subtasks  and consecutively from one
subtask to the next. An exception to the
structural groupings was made in the
case of the benzidine-based  dyes and
pigments, which  technically belong in
Subtask 4; because of particular interest
due to their carcinogenic  hazard status
and the  resulting  higher degree of
documentation, this subclass  was con-
sidered separately as Subtask 1. As the
ODPDB was designed to be completely
compatible with  the revised OCPDB,
information on data structure and access-
ing have not been provided herein, the
report entitled "The Revised Organic
Chemical Producers Data Base System,"
U.S. Environmental Protection Agency,
September  1980, EPA-600/2-80-164,
should be consulted.
                               Table 2,    Subtasks of the Organic Dyes and Pigments Data Base

                               Subtask
                               Number              Structural Class
                                                                     Number of
                                                                     Colorants
                                 1
                                 2
                                 3
                                 4

                                 5
                                 6

                                 7

                                 8

                                 9
                    Benzidine and Its Congeners
                    Monazo
                    Anthraquinone
                    Disazo. Trisazo, Polyazo, and
                      Unspecified Azo
                    Stilbene and Azoic
                    Triarylmethane, Diphenylmethane,
                    and Xanthene
                    Acridine, Quinoline. Thiazole, Methine,
                    Azine. Oxazine, Thiazine. Nitroso, and Nftro
                    Sulfur, Aminoketone. Indigoid, and
                    Phthalocyanine
                    Undisclosed (Proprietary) Structure
                                69
                               383
                               20O

                               337
                                95

                                94

                                86

                                83
                                87
                               1434
  These modifications primarily consisted
of altering the field lengths of some of the
data  elements,  abandoning  certain
elements for which information on dyes
and pigments was unobtainable, and, in a
few cases, substituting other elements
which seemed particularly applicable. In
the latter category,  nonconfidential
production ranges for individual plants of
manufacturers were included from EPA's
Chemicals in. Commerce  Information
System fCICIS),  and noivlethal  toxicity
and  carcinogenicity  test results (TOto)

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     L Swett, A. Twhigg. andK. E. McCaleb are with SRI International, Menlo Park, CA
       94205.
     David Oestreich (through 1981) and Mark Stutsman are the EPA Project Officers
       (see below).
     The complete report, entitled "The Organic Dyes and Pigments Data Base," {Order
       No. PB84-148980; Cost: $10.00, subject to change) will be available only from:
            National Technical Information Service
            5285 Port Royal Road
            Springfield, VA 22161
             Telephone:  703-487-4650
     For information Mark Stutsman can be contacted at:
            Industrial Environmental Research Laboratory
             U.S. Environmental Protection Agency
             Cincinnati, OH 45268
   ft U.S. GOVERNMENT PRINTING OFFICE; 1984 — 759-015/7696
United States
Environmental Protection
Agency
Center for Environmental Research
Information
Cincinnati OH 45268
Official Business
Penalty for Private Use $300

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