United States
Environmental Protection
Agency
Industrial Environmental
Research Laboratory
Cincinnati OH 45268
Research and Development
EPA-600/S2-84-034 May 1984
Project Summary
Organic Chemical Producers
Data Base Development
and Update
Robert Soklow
This report describes modification,
content expansion and update activities
performed on the Organic Chemical
Producers Data Base (OCPDB). The
primary function of this data base is to
provide a means of quick access to
reliable chemical, producer, process
and end use data for the industrial
organic chemicals industry.
A brief description is given of the
OCPDB system structure as
implemented under System 2000®, a
data base management system
(DBMS). A discussion of OCPDB data
is presented, describing the types of
information available in the i?ata base.
Revisions made to the OCPDB schema
for the incorporation of additional data
are described and a newly developed
standard report for chemical uses is
presented. Content expansion, verifica-
tion and update activities for all data are
discussed in detail and appropriate
reference material is cited specifically
for each component of data.
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 document-
ed in a separate report of the same title
(see Project Report ordering information
at back).
Introduction
The original OCPDB was developed in
1976 for EPA's Industrial Environmental
Research Laboratory in Cincinnati (IERL-
Cl). Initially, the OCPDB consisted of 380
chemicals and 610 producing plants,
which were incorporated into a
iSSystem 2000* is a registered trademark of Intel
Corporation
computerized information system in
order to provide ready access to data.
Since 1976 the OCPDB was revised
and updated and now contains chemical,
economic, process, end use, and
producer related data for 605 chemicals.
During this developmental period, the
capabilities of the OCPDB were expanded
by the addition of chemical and producer
related data. These additions include:
• Chemical Abstract Services (CAS)
Registry Numbers
• Process Data
• River Basin Codes
• EPA Region Numbers for Producers
• Chemical Use Data
• Standard Nomenclature for Use
Descriptions
• Standard Industrial Classification
Codes
The OCPDB was implemented in 1979
with System 2000. This data base man-
agement system (DBMS) has widespread
availability and offers substantial pro-
gramming flexibility and excellent
capabilities for retrieving, reporting and
analyzing data. The OCPDB was revised
and updated during this project using the
System 2000 DBMS.
A major focus of this project was to
enhance the chemical use presentation
capabilities of the OCPDB. In this regard,
data expansion and update activities,
modifications to the schema and the
creation of a new chemical use report
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have added new utility to the OCPDB.
With sources of data used during
previous updates (including the latest
editions of these sources) and with addi-
tional sources, a content update was
performed during which producer
locational data and chemical use data
were added to the data base. Several
components of chemical toxicity data
were removed.
Technical Discussion
The structure and information retrieval
capability of the OCPDB is defined by the
"Key Data Elements" shown in Table 1.
Data pointers exist in the OCPDB,
creating links between these key data
elements and other types of entries. Data
within each entry are organized into a
logical hierarchical structure, as
presented in Figure 1.
Modifications performed to the OCPDB
schema facilitated the inclusion of
additional data to the producers record
group (a group of data elements which
may occur more than once under the
same entry on a given level). Zip code. Air
Entry Type = 1
Entry Type = 2
Level 0
Table 1.
Key Data Elements
Chemical Product Entries
Chemical Name
Chemical ID Number
CAS Number
Wiswesser Line Notation
New Chemical Indicator
Priority Pollutant Indicator
Production Year
Chemical Use Name
Chemical USE IPPEU Number
Chemical Use SIC
Chemical/Industrial Use Name
Chemical/Industrial Use SIC Name
Synonym
Process OCPDB Number
Process ICPDB Number
Reactant Chemical Name
Reactant OCPDB Number
Reactant ICPDB Number
Reactant SIC Number
Producer Entries
OCPDB and ID Number
Parent Company Name
Producing Company Name
City
County
State
Zip Code
River Basin Name
River Basin Code
EPA Region
AQCR Code
Level 2
Level 3
Figure 1. General Hierarchical Structure of the OCPDB.
Quality Control Region (AQCR) code, and
chemical use Standard Industrial
Classification (SIC) code are three non-
KEY data components added to the
OCPDB during this activity.
In another modification, a Chemical
Use Report was created to enable users to
locate chemicals according to use. In this
report, a list of OCPDB chemicals is gen-
erated for a given use. Each chemical is
listed along with its corresponding CAS
registry number, amount produced yearly
for each use, and the percent of total
domestic production of each chemical for
each use. Reference IPPEU numbers
indicating the process(es) used to manu-
facture each chemical, as well as a list of
producing plants for each of these
chemicals, are also presented in the
Chemical Use Report.
A knowledgeable System 2000 user
can employ Natural Language commands
to retrieve pertinent data for the broad
spectrum of industrial and environmental
information contained in the OCPDB.
However, the System 2000 Natural
Language commands are limited in their
capability to perform computations and
produce special output formatting.
Moreover, to engage the System 2000
Natural Language commands efficiently,
the user must have previous experience
in the use of the System 2000 DBMS and
other computer systems. To alleviate
such user restrictions and limitations, a
. program library of several standard report
formats was developed during an earlier
OCPDB development activity to retrieve
and display key OCPDB chemical and
producer data. S-CUBED continued the
development of this program library using
the System 2000 Procedural Language
Interface methodology. Currently, the
OCPDB program library is comprised of
the eleven standard report formats listed
in Table 2.
The Product Data Report (PDR), one of
the standard reports available in the
OCPDB program library, presents all the
information contained in the OCPDB.
Chemical, economic, chemical use,
process and chemical producer
information are the four categories in
which this information is presented. In
Table 3, data components contained
within each of these categories are listed.
The selection of literature used to
update the OCPDB was based on an
investigation to determine the most
accurate, complete and readily available
information. The most up-to-date
versions of literature utilized during pre-
Table 2. Standard Data Report Formats
Description
Plants and Product Slates
Plants and Product Slates (by EPA Region)
Plants and Product Slates (by River Basin)
Product Slate
Chemicals and Production Sites - Nationwide
Chemicals and Production Sites - Statewide
Product Data Report - (PDR)
Chemical Producers
Chemical Use Report (Original Version)
Minimum Site Search (Input Required)
Chemical Use Report (S-CUBED Version)
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Table 3. OCPDB Data Components
Chemical Data
Chemical Identification Number
Priority Pollutant Flag
CAS Registry Number
Wiswesser Line Notation
Synonym
NIOSH Registry Number
Use Data
Use Description
Use Amount
Percent Domestic Use
IPPEU Reference Number for Uses
Use SIC Code
Economic Data
Annual Production Volume
Annual Sales
Unit Cost
Product Process Data
Process Description
IPPEU Reference Number
Reaction Components
Industrial Origin of Reactants
SIC Code
Ancillary Process Material
Producer Data
Name
Identification Number
City
State
Zip Code
County
River Basin Code
River Basin Name
AQCR
Process Capacity
vious maintenance activities, as well as
previously unused literature, were
assessed. Literature selected to perform
the update was used to supplement
incomplete information and construct the
new data. A discussion of work
performed to update chemical, economic,
use, product, process, and producer-
related information is presented in the
project report. The literature used to
perform this update should be referred to
when developing an appropriate
maintenance protocol for the OCPDB.
The main benefit of this most recent
data expansion, update and modification
to the OCPDB is that this data base can
now be referred to when drawing
chemical-chemical lines of evolution
(trees). In this way, process chemicals
used during the manufacture of a given
OCPDB chemical are accounted for. Also
accounted for are those chemicals for
which a given OCPDB chemical is used as
a process chemical. This tree concept can
be developed further to produce a
standard report for major evolutionary
roots, thus enabling specific queries
regarding finer levels of the derivation
and fate of OCPDB chemicals. Additional
software should be developed for a
procedure to conduct specific queries by
interactive dialogue with the OCPDB at a
Video Display Terminal.
The project report for this effort
provides detailed information on the
following:
• Historical background of the OCPDB
and a discussion of the most recent
modification and update activities.
• Recommendations pertinent to on-
going and future OCPDB
maintenance and update efforts.
• Discussion of the System 2000
DBMS structure and the information
retrieval capabilities of the OCPDB.
• Operations conducted for the
incorporation of additional data.
• Operations performed to increase
the OCPDB's data reporting capabil-
ities.
• Description of the OCPDB data.
• Activities performed to update
outdated information, supplement
missing information and derive
information for new data.
Extramural requests
standard reports.
for OCPDB
• Discussion of each of the eleven
standard reports available in the
OCPDB library along with a sample
excerpt for each report type to illus-
trate format and content.
Finally, the report provides appendices
which present a complete list of all
OCPDB chemicals and a list of the
producers of the 605 chemicals in the
OCPDB.
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Robert Soklow is with S-Cubed, San Diego, CA 92121.
MarkJ. Stutsman is the EPA Project Officer (see below).
The complete report, entitled "Organic Chemical Producers Data Base Develop-
ment and Update." (Order No. PB84-148 204; Cost: $13.00, subject to change)
will be available only from:
National Technical Information Service
5285 Port Royal Road
Springfield, VA 22161
Telephone: 703-487-4650
The EPA Project Officer can be contacted at:
Industrial Environmental Research Laboratory
U.S. Environmental Protect/on Agency
Cincinnati, OH 45268
•ft U.S GOVERNMENT PRINTING OFFICE; 1984 — 759-015/7697
United States
Environmental Protection
Agency
Center for Environmental Research
Information
Cincinnati OH 45268
Official Business
Penalty for Private Use $300
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