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
TŁ>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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