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New chemical use databases to support interpretation and dissemination of non-targeted analysis exposure data
Citation:
Dionisio, K., K. Phillips, A. Williams, A. McEachran, J. Sobus, P. Price, J. Wambaugh, AND K. Isaacs. New chemical use databases to support interpretation and dissemination of non-targeted analysis exposure data. 2017 ISES Annual Meeting, Durham, NC, October 15 - 19, 2017.
Impact/Purpose:
Presented at 2017 ISES Annual Meeting.
Description:
Exposure to chemicals in consumer products has been identified as a significant source of human exposure. To predict such exposures, information about the ingredients and their quantities in consumer products is required, but is often not available. The Chemicals and Products Database (CPDat) has been developed under the U.S. EPA’s Chemical Safety and Sustainability research program to fill these data gaps by using information from publicly-available sources. CPDat currently includes qualitative and quantitative information on reported product ingredients (from Safety Data Sheets or ingredient lists) in addition to multiple use categorizations (general, chemical function, and consumer product uses). Further, the CPDat database has been integrated with the Computational Toxicology Chemistry Dashboard (https://comptox.epa.gov/dashboard), which allows for linking of the product-specific (e.g. ingredients, weight fraction, use category) information in CPDat with chemical-specific information (e.g. structure, properties) and toxicity data (e.g. high-throughput screening and animal studies) available through the Dashboard. These data can aid in the interpretation or classification of accurate masses or molecular formulae identified in non-targeted analysis (NTA) studies. The Dashboard contains tools for searching for candidate chemical structures by mass or formulae, allowing selection among possible structures via investigation of CPDat information and other dashboard data sources. CPDat and the Dashboard are being updated to contain information about chemicals tentatively identified or confirmed in products in targeted and non-targeted analytical studies by EPA or others. As the database grows, it will increase the information available for rapidly and defensibly 1) evaluating the results of NTA of environmental or biological media or consumer products/articles and 2) characterizing chemicals in consumer products and articles for use in exposure and risk evaluations.
