Chemical Information
Government Links – Chemical Information
Agency of Toxic Substances & Disease Registry (ATSDR), Toxic Substances Portal Toxicological Profiles
https://www.atsdr.cdc.gov/substances/index.asp
From CERCLA, ATSDR worked with USEPA to develop a list of hazardous substances most commonly found at facilities on the CERCLA National Priorities List (NPL) and prepare toxicological profiles for each substance included on the priority list of hazardous substances. The toxicological profiles include an examination, summary, and interpretation of available toxicological information and epidemiologic evaluations of a hazardous substance. During the development of toxicological profiles, MRLs are derived when ATSDR determines that reliable and sufficient data exist to identify the target organ(s) of effect or the most sensitive health effect(s) for a specific duration for a given route of exposure to the substance.
Canadian Environmental Protection Act (CEPA) Toxic Substances List
https://www.ec.gc.ca/lcpe-cepa/default.asp?lang=En&n=0DA2924D-1
CEPA 1999 includes regulations to protect the environment and human health and establishes strict timelines for managing substances found toxic under the Act, which compose the Toxic Substances List. These substances determined to be “toxic”, persistent, bioaccumulative, anthropogenic, and which are not naturally occurring radionuclides or naturally occurring inorganic substances shall be proposed for implementation of virtual elimination. A substance is declared “CEPA-toxic” as a result of a systematic, risk-based assessment.
Canada Domestic Substances List (DSL)
https://www.ec.gc.ca/lcpe-cepa/default.asp?lang=En&n=D44ED61E-1
The Canadian DSL search engine is combined with the New Substances Search Engine to provide the name and the list on which the chemical is included. The DSL in particular identifies about 23,000 substances that existed on Canadian commerce whether for manufacturing or import between 1984 and 1986, including quantities of above 100 kg/year. These substances were defined as toxic or capable of becoming toxic by the Canadian Environmental Protection Act (CEPA 1999).
California Department of Toxic Substances Control
https://cit.dtsc.ca.gov/cit.web/
This link provides access to the user portion of the Toxic Information Clearinghouse. Users can search for chemicals and associated hazard traits and end points. The chemical search searches by chemical name or CASRN number. The advanced search is intended for searching by hazard trait or end point although it will search the authoritative sources by any key words.
Chemical Risk Information Platform (CHRIP)
https://www.safe.nite.go.jp/english/db.html
CHRIP is a database provided free of charge and managed by the Japanese National Institute and Technology and Evaluation. It provides comprehensive information on risk assessments (including toxicity, hazards, chemical/physical properties, exposures, etc.) and Japanese and international laws and regulations of chemical substances. It also includes information on biodegradation and bioconcentration of existing chemical substances. These substances can be searched by entering the number or name, by category lists, or by structure.
Consumer Products Safety Commission (CPSC)
The CPSC aims to protect consumers and families from products that pose a fire, electrical, chemical, or mechanical hazard. It provides information on various consumer products, recall lawsuits, safety education, regulations and legislation, and research and statistics on injuries related to the products. CPSC also allows for online reporting of unsafe products.
Data Bank of Environmental Properties of Chemicals (EnviChem)
https://www.echemportal.org/echemportal/participant/participantinfo.action?participantID=5&pageID=2
The EnviChem database consists of toxicity information on substances in relation to different species, especially aquatic organisms, together with information on the persistence and accumulation of these substances in the environment. The information is mainly compiled from scientific literature, handbooks and databases in the field of ecotoxicology. The database also contains practical data on chemical substances for that purpose.
European Bioinformatics Institute (EBI), Chemical Entities of Biological Interest (ChEBI)
ChEBI is a database of molecular entities focused on small chemical compounds. These molecular entities can be either products of nature or synthetic products used to intervene in the processes of living organisms. It also includes classification, nomenclature, and ontology. A number of other sources, such as ChEMBL, PDBeChem, and KEGG COMPOUND are accessible through ChEBI.
European Bioinformatics Institute (EBI), ChEMBL
https://www.ebi.ac.uk/chembldb/
ChEMBL is a database of bioactive drug-like small molecules focusing on chemical properties. It contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.), and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).
European Chemicals Agency (ECHA) Information on Chemicals
https://echa.europa.eu/information-on-chemicals
The ECHA Information on Chemicals section serves as a gateway to ECHA’s public databases on chemical substances, which contain a large range of information including chemical/physical properties, environmental impact, uses, toxicological data, etc. It also includes information on registration dossiers for substances where a testing proposal has been made, together with information related to the transitional arrangements from the previous chemicals legislation.
European Chemicals Agency (ECHA), Candidate List of Substances of Very High Concern
https://echa.europa.eu/candidate-list-table
The ECHA Candidate List of Substance of Very High Concern contains information on each of the substances that are considered very harmful to human health and/or the environment by ECHA. For each substance, it includes chemical properties and data from hazard assessments, justifying its inclusion on the list.
European Chemicals Agency’s Dissemination Portal
https://echa.europa.eu/web/guest/information-on-chemicals/registered-substances
This list serves as the European Chemicals Agency’s Dissemination portal with information on chemical substances registered under REACH. It contains all of the information constantly being submitted to and processed by ECHA due to the deadlines of the REACH regulations.
European Inventory of Existing Commercial Chemical Substances (EINECS)
https://www.cirs-reach.com/Inventory/EU_EINECS_ELINCS_NLP.html
Like EC-ESIS, EINECS is a database containing information and data regarding various chemicals in the European chemical inventory. It provides some hazard and trade data as well as any EU Commission decisions. It was compiled in 1990 and is occasionally updated. It is accessible through EC-ESIS.
Finnish Institute of Occupational Health (FIOH)
https://www.ttl.fi/en/Pages/default.aspx
FIOH is a research and specialist organization in the field of occupational health and safety. It examines various health and safety hazards and produce tools to improve occupational health and reduce risks.
Globally Harmonized System (GHS)
https://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
The GHS is a classification scheme for chemicals to consistently communicate hazard information about chemicals world-wide. The GHS includes harmonized criteria for classifying substances and mixtures according to their health, environmental and physical hazards, as well as harmonized requirements for labeling and safety data communication.
Information on Hazardous Chemicals and Occupational Diseases (Haz-Map)
https://hazmap.nlm.nih.gov/index.php
Haz-Map is an occupational health database designed for health and safety professionals and for consumers seeking information about the health effects of exposure to chemicals and biologicals at work. Haz-Map links jobs and hazardous tasks with occupational diseases and their symptoms. The main links in Haz-Map are between chemicals and occupational diseases, in which causality has been established based on current scientific evidence.
International Agency for Research on Cancer (IARC)
IARC promotes international collaboration in cancer research and developed criteria to evaluate carcinogenic risks to humans and publishes monographs describing these evaluations. It also maintains a summary list of agents classified by IARC monographs, but recommends consulting the monograph itself for full interpretation of the classification.
International Programme on Chemical Safety (IPCS), Chemical Safety Information from Intergovernmental Organizations (INCHEM)
IPCS INCHEM is an invaluable tool that focuses on safety and the sound management for a wide range of commercial chemicals. It consolidates current, internationally peer-reviewed chemical safety-related publications and database records from international bodies, for public access.
International Union of Pure and Applied Chemistry (IUPAC), International Chemical Identifier (InChI)
https://www.iupac.org/home/publications/e-resources/inchi.html
InChI is a chemical descriptor that is also human-readable and is an excellent way to encode molecular structures as unique text strings. They are not very useful for large data sets and are only applicable to molecular pure compounds. Also, chemical mixtures and covalent network solids or minerals are not supported.
National Toxicology Program Office of Health Assessment and Translation (OHAT)
https://www.niehs.nih.gov/research/atniehs/dntp/ohat/index.cfm
https://ntp.niehs.nih.gov/?objectid=497C419D-E834-6B35-8AF15D389859AF07
The NTP OHAT conducts technical assessments focused on understanding the potential for adverse effects on human health by agents, substances, mixtures, or exposure circumstances. These evaluations can lead to NTP opinions on whether these substances may be of concern given what is known about current human exposure levels. OHAT produces NTP Monographs, state-of-the-science workshop reports, or peer-reviewed journal publications based on their evaluations.
National Toxicology Program, Report on Carcinogens (RoC)
https://ntp.niehs.nih.gov/?objectid=72016262-BDB7-CEBA-FA60E922B18C2540
The RoC is a congressionally mandated, science-based, public health report that identifies agents, substances, mixtures, or exposures in our environment that may potentially put people in the United States at increased risk for cancer. For every substance listed, the RoC contains a profile including cancer studies (mechanism, human, animal), potential sources of exposure, and current federal regulations to limit exposures.
National Institute for Occupational Safety and Health (NIOSH), Control Banding
https://www.cdc.gov/niosh/topics/ctrlbanding/
NIOSH Control Banding is a technique used to assess and manage workplace risks, basing workplace control measures, such as ventilation or engineering controls, on a range or “band” of hazards and exposures. This process capitalizes on the experience of controlling occupational chemical exposures and expanding those solutions to other similar exposure concerns. Control banding is most effective when used with health and safety practices such as chemical substitution.
New Jersey, Right to Know Hazardous Substance Fact Sheets
https://web.doh.state.nj.us/rtkhsfs/indexfs.aspx
The Hazardous Substance Fact Sheets are prepared on pure substances and contain information on health hazards, exposure limits, personal protective equipment, proper handling, first aid, and emergency procedures for fires and spills. These are formatted similar to Material Safety Data Sheets (MSDSs) and include a glossary. More than half of the sheets have also been translated to Spanish.
National Institute for Occupational Safety and Health (NIOSH), Control Banding
https://www.cdc.gov/niosh/topics/ctrlbanding/
NIOSH Control Banding is a technique used to assess and manage workplace risks, basing workplace control measures, such as ventilation or engineering controls, on a range or “band” of hazards and exposures. This process capitalizes on the experience of controlling occupational chemical exposures and expanding those solutions to other similar exposure concerns. Control banding is most effective when used with health and safety practices such as chemical substitution.
NIOSH, Pocket Guide (NPG) to Chemical Hazards
https://www.cdc.gov/niosh/npg/default.html
The NIOSH Pocket Guide is a source of general industrial hygiene information on several hundred chemicals and classes found in the work environment. Key data provided for each chemical/substance includes name (including synonyms/trade names), structure/formula, CAS/RTECS Numbers, DOT ID, conversion factors, exposure limits, IDLH, chemical and physical properties, measurement methods, personal protection, respirator recommendations, symptoms, and first aid.
NIH/National Cancer Institute and Computer-Aid Drug Design (CADD) Group, Chemical Identifier Resolver
https://cactvs.cit.nih.gov/chemical/structure
The Chemical Identifier Resolver works as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. It can help you identify and find the chemical structure if you have an identifier such as an InChIKey. It’s still in beta testing.
National Oceanic and Atmospheric Administration (NOAA), CAMEO
Background: https://response.restoration.noaa.gov/cameochemicals
CAMEO Database of Hazardous Materials: https://cameochemicals.noaa.gov
CAMEO is a system of software applications used widely to plan for and respond to chemical emergencies. It is one of the tools developed by EPA’s Chemical Emergency Preparedness and Prevention Office (CEPPO), U.S. Coast Guard and the National Oceanic and Atmospheric Administration Office of Response and Restoration (NOAA), to assist front-line chemical emergency planners and responders. They can use CAMEO to access, store, and evaluate information critical for developing emergency plans. The online version is maintained by NOAA’s Office of Response and Restoration.
Organisation for Economic Cooperation and Development (OECD), eChemPortal
eChemPortal provides public access to information on properties of chemicals such as physical/chemical properties, ecotoxicity, environmental fate and behavior, and toxicity. It allows simultaneous searching of reports and datasets by chemical name and number and by chemical property. eChemPortal also provides exposures and use information on chemicals. It aggregates several toxicity and ecotoxicity databases worldwide.
Organisation for Economic Cooperation and Development (OECD), Existing Chemicals Database
https://www.oecd.org/env/hazard/data
The OECD Existing Chemicals Database tracks all chemicals in the OECD cooperative Chemicals Assessment Programme, particularly high production volume (HPV). OECD publishes publicly-available assessment reports for international HPV chemicals, which are indexed by CAS numbers and chemical names and include existing information on the chemical identity, physical characteristics, sources and levels of exposure, environmental fate and pathways of exposure, and toxicological and ecotoxicological data.
Organisation for Economic Cooperation and Development (OECD) Existing Chemicals, Screening Information Data Sets (SIDS)
https://www.chem.unep.ch/irptc/sids/OECDSIDS/sidspub.html
https://www.epa.gov/opptintr/chemtest/pubs/oecdsids.html
The SIDS program is focused on developing base level test information on approximately 600 poorly characterized international HPV chemicals. The SIDS data are used to screen the chemicals and set priorities for further testing or risk assessment/management activities. The OECD/SIDS test data set includes physico-chemical properties, results of environmental fate testing, results of environmental effects testing, and results of health effects testing.
Occupational Safety and Health Administration (OSHA), Occupational Chemical Database
https://www.osha.gov/chemicaldata/
This chemical database is maintained by OSHA as a convenient reference for the occupational safety and health community. It compiles information from several government agencies and organizations and includes data on physical properties, occupational safety classifications, exposure guidelines, NIOSH Pocket Guide, and emergency response information, including the DOT Emergency Response Guide. The chemicals are indexed by name and CASRN.
OSHA, Transitioning to Safer Chemicals: A Toolkit for Employers and Workers
https://www.osha.gov/dsg/safer_chemicals/basics.html
OSHA has developed this step-by-step toolkit to provide employers and workers with information, methods, tools, and guidance on using informed substitution in the workplace.
Royal Society of Chemistry, Cambridge (UK), ChemSpider
ChemSpider is a free chemical structure database providing text and structure search access to over 28 million structures from hundreds of data sources. It allows for searches by properties and associated information about the chemical. Additionally, it has services for identifier exchange and property prediction.
Swedish Chemicals Agency (KEMI) Restricted Substances Database of Sweden
https://webapps.kemi.se/begransningsdatabasen/Sok.aspx
The Restricted Substances Database is an aid to rapidly search rules on prohibitions and other restrictions on use in Sweden that apply to individual chemical substances or groups of substances in the Swedish Chemicals Agency’s area of activity. The information contained in the database is limited to the specific provisions that apply to individual chemical substances or groups of substances.
United Nations Environment Programme (UNEP)
UNEP provides a vast array of materials including a Resource Kit on Sustainable Consumption & Production, a Life Cycle Initiative, and reports on various environmental topics. The Resource Efficiency Program also recently launched the Global Sustainable Consumption and Production (SCP) Clearinghouse, which consists of a large collection of materials revolving around SCP.
U.S. National Library of Medicine, ChemIDplus
https://chem.sis.nlm.nih.gov/chemidplus/
https://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?CHEM
ChemIDplus is a dictionary compiled from over 70 sources containing over 370,000 chemicals including their names, synonyms, and structures. It focuses on chemical properties. It also allows searching by any combination of name, registry number, molecular formula, classification code, locator code, toxicity, physical property, structure, or molecular weight. Toxicity and physical property data are displayed in tables under Basic Information.
U.S. EPA, ACToR (DSSTox, ExpoCast, ToxCast and ToxRefDB)*
https://actor.epa.gov/actor/faces/ACToRHome.jsp
ACToR (Aggregated Computational Toxicology Resource) is EPA’s online warehouse of all publicly available chemical toxicity data and can be used to find all publicly available data about potential chemical risks to human health and the environment. ACToR aggregates data from over 1,000 public sources on over 500,000 environmental chemicals searchable by chemical name, other identifiers and by chemical structure.
- Includes chemical structure, physico-chemical values, in vitro assay data and in vivo toxicology data.
- Includes, but not limited to, high and medium production volume industrial chemicals, pesticides (active and inert ingredients), and potential ground and drinking water contaminants.
Guidance on how to use ACTor https://actor.epa.gov/actor/ACToR_ToxRefDB_Help_24Feb2010.pdf
*Note that all the EPA Ofc of R&D Tools have been grouped here under ACTor as they are all linked and can be searched simultaneously.
U.S. EPA, Chem View
The ChemView web tool displays key health and safety data that has been submitted to or generated by U.S. EPA’s Office of Chemical Safety and Pollution Prevention. ChemView currently provides information on 1500 chemicals. The tool is a key step in EPA’s commitment to transparency of environmental data. Chemical info is displayed in an online format that allows comparison of chemicals by use and by health or environmental effects. The search tool combines available Toxic Substances Control Act (TSCA) information and provides streamlined access to U.S. EPA assessments, hazard characterizations, and information on safer chemical ingredients. Additionally, the new web tool allows searches by chemical name or Chemical Abstracts Service (CAS) number, use, hazard effect, or regulatory action. It has the flexibility to create tailored views of the information on individual chemicals or compare multiple chemicals sorted by use, hazard effect or other criteria. The new portal will also link to information on manufacturing, processing, use, and release data reported under the Chemical Data Reporting Rule, and the Toxics Release Inventory.
U.S. EPA, Integrated Risk Information System (IRIS)
U.S. EPA’s Integrated Risk Information System (IRIS) is a human health assessment program that evaluates quantitative and qualitative information about effects from exposure to environmental contaminants. IRIS provides information on cancer and non-cancer health effects on 550 chemical substances including human health effects that may result from exposure to these substances. IRIS is a compilation of electronic reports on specific substances found in the environment and their potential to cause human health effects. U.S. EPA’s National Center for Environmental Assessment (NCEA) within the Office of Research and Development (ORD) prepares and maintains IRIS.
U.S. EPA, Use Cluster Scoring System (UCSS)
https://www.epa.gov/opptintr/exposure/pubs/ucss.htm
EPA UCSS identifies and screens clusters of chemicals used to perform particular tasks (use clusters). A use cluster is a set of chemicals that may be substituted for each other for specific tasks. UCSS identifies cluster of potential concern and ranks chemicals using human health, environmental hazard and exposure data. Users may use the system to compare the toxicity of similar chemicals used to perform a particular task.
U.S. EPA, Chemical Data Access Tool (CDAT)
https://java.epa.gov/oppt_chemical_search/
EPA Pollution Prevention and Toxics (OPPT) Chemical Data Access Tool (CDAT). Compilation of chemical-specific information submitted to EPA under the TSCA. The tool enables search in the following databases:
- CDR – This database includes non-confidential information on the manufacture (including import), process and use of chemicals reported under the Chemical Data Reporting (CDR) rule. eDoc – The eDoc database includes a broad range of health and safety information reported by industry under TSCA Sections 4,5, 8(d), and 8(e).
- TSCATS – The TSCA Test Submissions (TSCATS) database is an online index to unpublished, nonconfidential studies covering chemical testing results and adverse effects of chemicals on health and ecological systems.
- HPVIS – The High Production Volume Information System (HPVIS) is a database that provides access to health and environmental effects in