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
                                             ,
                                        b°b

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