Chemical Data Reporting

Chemical data reporting (CDR) is a crucial process regulated by the U.S. Environmental Protection Agency (EPA) under the Toxic Substances Control Act (TSCA). This means that manufacturers and importers are expected to offer information to the EPA regarding production and utilisation of specific chemicals in the market.

This paper highlights the requirement, the thresholds and the tools which the companies could employ whenever there is a need to prepare and file for the next CDR reporting set to begin in 2024.

What is chemical data?

Chemical data include the details regarding the chemical characteristics or properties of any substance. Such data may concern with chemical structure or composition, physical and chemical characteristics, toxicity, reactivity, and other parameters.

Chemical information is vital for predicting and analysing the reactions of a chemical in various settings, including industrial processes, the consequences of chemical on the environment and their effects on the wellbeing of individuals.

What is chemical data reporting?

Chemical Data Reporting (CDR) is a program mandated by the TSCA that requires manufacturers (including importers) to submit information about the chemicals they produce or import into the United States.

The balance goal of CDR is too gather information about the manufacture, process and use of chemicals in commerce to enable the EPA filter out and assess the chemicals for potential risks to the human health and the environment.

Under the CDR reporting requirements, manufacturers must report data every four years for chemicals that meet certain production volume thresholds. These data may consist of the identity of the chemical, the volume produced, the manufacturing location, data relating to processing and usage and any other information linked to exposure.

What are the largest chemical databases?

There are several chemical databases which are used to store the information of the different chemical substances in an orderly fashion. Some of the most notable ones include:Some of the most notable ones include:

TSCA Chemical list: The Toxic Substances Control Act (TSCA) Chemical Substance Inventory is a comprehensive list of chemicals manufactured, processed, or imported in the United States. It serves as a foundation for the EPA’s regulatory activities under TSCA.
EIS database: The Environmental Information System (EIS) database is maintained by the EPA and contains data submitted under various reporting requirements, including the TSCA CDR reporting.
PubChem: Developed by the National Institutes of Health (NIH), PubChem is a public database that provides information on the biological activities of small molecules, including their chemical structures and properties.
ChemSpider: Owned by the Royal Society of Chemistry, ChemSpider is a free chemical structure database that integrates and links compounds from numerous other databases.

What is chemical data management?

Chemical data management is the coherent process of data acquisition, storage, retrieval and further analysis for chemical data. Effective chemical data management is crucial for companies to ensure data integrity, accessibility, and compliance with regulatory requirements like TSCA reporting requirements.

Some of these functionalities include: Validation, control of the versions, security and compatibility with other tools and systems. These systems help streamline the process of collecting, storing, and reporting chemical data, making it easier for companies to meet their CDR reporting obligations.

What is a chemical data analyst?

A chemical data analyst is an expert that works on chemical data that involves collection, processing, analysis, interpretation and management of chemical data for the purpose of decision making.

Some of the approaches which enumerated include employing several tools in computer and mathematical computations, statistical techniques and graphical analyzes in order to investigate on the structure property and activity relationships.

Chemical data analyst helped in the fields like pharmaceuticals, material science and environmental science. They are involved in the generation of new products/new ideas, enhancement of manufacturing process, and evaluation of chemical risks as well as toxicity.

What are the advantages of a chemical database?

Chemical databases offer several advantages for organizations dealing with chemical information:

Centralized data storage: Chemical databases are useful tools in that they help centre the organization and facilitate the management of chemical information through the creation of a common database.
Improved data quality: Data validation and standardization procedures are used by chemical databases to enforce accuracy, consistency and data completeness in chemical data.
Enhanced search and retrieval: Chemical databases can be furnished with search and retrieval tools so that the user can easily get the required information within a short time by specifying different parameters like chemical structure, chemical properties or activity values.
Facilitating regulatory compliance: Chemical data reporting databases, like the EPA’s chemical data reporting (CDR) database, help companies meet their regulatory obligations by providing a structured framework for collecting, organizing, and submitting required chemical data.
Supporting research and innovation: Chemical databases are no different, they are widely used by researchers and scientists as rich sources of information and starting point for discovery of new materials, drugs or other products.

How does a chemical database work?

A chemical database works by storing and organizing chemical data in a structured format, typically using relational database management systems (RDBMS) or other specialized database technologies. Organisation of the database is made using the schema which prescribes how chemical compounds, properties and experiments results are stored.

Chemists can access the chemical information through interfaces like chemical portals, stand alone desktop applications, through Programmers interfaces/ APIs. These interfaces enable users to query as well as to extract and explore chemical information through comparing characteristics such as structural formula, substructure, similarity, or property scope.

Chemical databases also provide enhanced aspects such as structure-activity relationship, graphical interface, and pre-installed computation tools involving artificial neural networks for the analysis of chemical data.

Where can I find chemical data?

Chemical data can be found in various sources, depending on the specific type of information needed. Some key sources include:

EPA’s chemical data reporting (CDR) database: The CDR database contains information submitted by manufacturers and importers under the TSCA CDR reporting requirements. It provides data on the production volume, use, and exposure of chemicals in commerce.
Public chemical databases: Databases like PubChem, ChemSpider, and the TSCA Chemical list offer access to a wide range of chemical information, including structures, properties, and bioactivity data.
Scientific literature: A significant amount of chemical data inclusive of experimental results, syntheses procedures and SAR information can be sourced from chemical associations from peer-reviewed journals and publications in chemistry, biology and related fields.
Company-specific databases: Chemical information is still on the rise; a lot of organizations have personal databases, which contain some restricted information about their products, researches and productions.
Government agencies: Apart from the EPA, there are also other institutions that offer the chemical data such as the NIST and ECHA among others that can be accessed through the databases and resources.

What is a 2024 CDR reporting requirement?

The next due date that manufacturers and importers of chemicals have to meet on the TSCA CDR rule is the 2024 CDR reporting requirement. The submission timeframe of the 2024 CDR cycle is from June 1 of the year 2024 to September 30 in the same year.

Under the 2024 TSCA chemical data reporting requirements, companies must report information on chemicals manufactured or imported above certain thresholds during the years 2020-2023. The reporting includes data on production volume, manufacturing site, processing and use, and exposure-related information.

To help the EPA for the upcoming 2024 CDR reporting, the agency has launched a new website called CDR GuideME that contains guidelines, training material, and FAQs. The EPA has also enhanced the e-CDRweb reporting tool through the new reporting code and also in the manner in which bulk chemical information may be uploaded.

Companies subject to the TSCA reporting requirements must ensure they are prepared to meet the CDR reporting deadline by collecting the necessary data, familiarizing themselves with the reporting thresholds and exemptions, and registering with the EPA’s Central Data Exchange (CDX) system.

Chemical Data Reporting Rule

The Chemical Data Reporting rule (40 CFR 711) is a regulation promulgated by the EPA under the authority of the Toxic Substances Control Act (TSCA). The rule mandates that the manufacturing and processing firms (including importers) of the chemical substances to submit, to the EPA, data on the usage of these chemicals every four years.

The CDR rule is aimed at gathering information which assists the EPA determining the kinds and volumes of chemicals being supplied in the market and their application. Such information is important for the agency to identify and rank chemicals for potential threat to human health and the environment and make suitable recommendations for management and regulation of chemicals.

Under the Chemical Data Reporting rule, companies must report data for chemicals that are listed on the TSCA Chemical list and meet certain production volume thresholds. This is so because the reporting contains information on; the identity of the chemical, its volume, manufacturing site, processing and use data as well as exposure details.

TSCA Chemical Data Reporting Fact Sheet

The EPA provides a TSCA Chemical Data Reporting Fact Sheet to help companies understand their obligations under the CDR rule. The fact sheet covers key aspects of the TSCA CDR reporting requirements, including:

Who must report: Manufacturers (including importers) of chemical substances listed on the TSCA Chemical list that meet certain production volume thresholds are required to report under the CDR rule.
What information must be reported: The fact sheet provides details pertaining to the data elements to be provided which includes chemical identity, production volume, manufacturing site, processing and use data as well as exposure data.
When to report: The fact sheet provides information on the reporting cycle and the submission period for each CDR cycle. For the 2024 TSCA chemical data reporting, the submission period is from June 1, 2024, to September 30, 2024.
How to report: The fact sheet helps organizations understand how it should submit their CDR data electronically through the e-CDRweb reporting tool in EPA’s CDX system.
Confidential Business Information (CBI): In the fact sheet, it is clear that for a person to claim that some information is CBI their is some right that they are exercising and there are procedures that they have to follow when claiming this right.

The TSCA Chemical Data Reporting Fact Sheet also includes information on exemptions, reporting thresholds, and special provisions for specific types of chemical substances, such as imported articles and byproducts.

TSCA Chemical Data Reporting Fact Sheet Imported Articles

The EPA provides a separate TSCA Chemical Data Reporting Fact Sheet specifically addressing the reporting requirements for imported articles under the CDR rule. An imported article means a manufactured good that is shaped or formed a particular shape or design in the course of production, has the end use functions of which are dependent on the shape or design and does not emit a chemical substance during normal use.

The fact sheet clarifies that chemical substances imported as part of articles are generally exempt from CDR reporting requirements unless the chemical substance is intentionally released from the article. However, there are certain exceptions and considerations:However, there are certain exceptions and considerations:

If the chemical substance is intentionally released from the article under normal conditions for processing, use or disposal then on condition that the importer meets the thresholds under the CDR rule the chemical substance needs to be reported.
In particular, CDR reporting is not required for a chemical substance if it is manufactured within the article and if the substance does not have any intended use other than the article.
If the chemical substance is incorporated as a component of the article and has a function or use in the article then this is not considered as an End-Use Application of that substance and in the event that the CDR thresholds are triggered, notification is required.

The fact sheet provides guidance on how to determine if a chemical substance is considered an “imported article” and how to assess whether it is subject to CDR reporting requirements. It also includes information on recordkeeping requirements and the availability of exemptions for certain types of imported articles.

EPA Chemical Data Reporting (CDR) Database

The EPA Chemical Data Reporting (CDR) Database is a centralized repository that contains information submitted by manufacturers and importers under the TSCA CDR reporting requirements. The database is useful for EPA, other regulatory agencies, researchers, and members of the public to obtain information and conduct analyses concerning the production, use and exposure of chemicals in the market.

The CDR database includes data submitted during each CDR reporting cycle, which occurs every four years. The data elements captured in the database include:The data elements captured in the database include:

Chemical identity: The chemical on reporting which has been mentioned, may be through Chemical Abstracts Service (CAS) number or any other number.
Production volume: The aggregate quantity of the chemical substance produced or received at every location in the course of the reporting period.
Manufacturing site information: The place of manufacture/import-an identification of the origin of the chemical substance that is being produced or procured.
Processing and use data: Details about the industrial, industrial- commercial and consumer end-use of chemical substance as well as sectors/uses for which it is being processed.
Exposure-related data: Details of likelihood of humans being exposed to the chemical substance which includes the number of workers that are likely to be exposed and products that can contain the chemical substance for commercial and consumer uses.

The EPA’s chemical data reporting (CDR) database is accessible through the EPA’s website, where users can search for and retrieve data using various criteria, such as chemical name, CAS number, or company name. The database also includes features like visual aid and statistics that assist the users in discovering the patterns and the changes undergone in the production and use of chemicals over time.

Chemical Data Collections

Chemical data collections refer to the various datasets, databases, and repositories that contain information on chemical substances, their properties, and related data. The following collections act as materials as vital references for the researchers, the regulatory bodies, and industries that embrace chemical science and chemical management.

Some notable chemical data collections include:

EPA’s chemical data reporting (CDR) database: As discussed earlier, the CDR database contains information submitted by manufacturers and importers under the TSCA CDR reporting requirements, providing data on the production, use, and exposure of chemicals in commerce.
National Institute of Standards and Technology (NIST) Chemistry WebBook: The individuals and students can get free of cost chemical and physical property data of over 70,000 organic and inorganic compounds and much more thermal data spectra and constants.
Cambridge Structural Database (CSD): Subscribed to the Cambridge Crystallographic Data Centre (CCDC), the CSD is a database of crystal structures of small organic and metal-organic molecules with more than 1 000 000 structures.
Reaxys: Reaxys is an analytical tool for chemical researches which, as a web-based service, contains chemical structure, properties and reaction data from different sources including scientific publications and patents.
SciFinder: A CAS offered software known as SciFinder offers substance data, reactions and literature references from compendia, patents, journals and more information.

All the chemical data collections are vital assets in scholars, innovation and decision making pertaining to chemical industry and other related sectors. Professionals and scientists can use them to find numerous sources of knowledge, analyze trends and patterns and make decisions as regards chemical control and legislation.

Chemical data reporting is a critical process that helps ensure the safe and responsible management of chemicals in commerce. By understanding the TSCA reporting requirements, CDR reporting thresholds, and the tools available for chemical data management, companies can effectively meet their regulatory obligations and contribute to the protection of human health and the environment.

The upcoming 2024 CDR reporting deadline serves as a reminder for manufacturers and importers to prepare their data and familiarize themselves with the latest guidance and resources provided by the EPA, such as the CDR GuideME portal and the improved e-CDRweb reporting tool.

As chemical data become more critical to research, innovation, and decision making in various fields, the role of chemical data collection and databases including the EPA’s chemical data reporting (CDR) database will continue to rise to support the chemical industry and all related stakeholders.