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 ------- 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) ------- 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 ------- |