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Title: The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products

Journal Article · · Scientific Data
 [1];  [1];  [1];  [2];  [2];  [3];  [4];  [1]
  1. US Environmental Protection Agency (EPA), Research Triangle Park, NC (United States). National Exposure Research Lab.
  2. US Environmental Protection Agency (EPA), Research Triangle Park, NC (United States). National Center for Computational Toxicology
  3. US Environmental Protection Agency (EPA), Research Triangle Park, NC (United States). National Exposure Research Lab.; Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)
  4. ICF International, Durham, NC (United States)
+ Show Author Affiliations

Quantitative data on product chemical composition is a necessary parameter for characterizing near-field exposure. This data set comprises reported and predicted information on more than 75,000 chemicals and more than 15,000 consumer products. The data’s primary intended use is for exposure, risk, and safety assessments. The data set includes specific products with quantitative or qualitative ingredient information, which has been publicly disclosed through material safety data sheets (MSDS) and ingredient lists. A single product category from a refined and harmonized set of categories has been assigned to each product. The data set also contains information on the functional role of chemicals in products, which can inform predictions of the concentrations in which they occur. These data will be useful to exposure and risk assessors evaluating chemical and product safety.

Research Organization:
Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
SC0014664
OSTI ID:
1624554
Journal Information:
Scientific Data, Vol. 5, Issue 1; ISSN 2052-4463
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (14)

High-throughput screening of chemicals as functional substitutes using structure-based classification models journal January 2017
SHEDS-HT: An Integrated Probabilistic Exposure Model for Prioritizing Exposures to Chemicals with Near-Field and Dietary Sources journal October 2014
The Chemical and Products Database (CPDat) MySQL Data File dataset January 2017
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology journal July 2016
Comparison of risks from outdoor and indoor exposure to toxic chemicals. journal November 1991
High Throughput Heuristics for Prioritizing Human Exposure to Environmental Chemicals journal October 2014
Characterization and prediction of chemical functions and weight fractions in consumer products journal January 2016
Consumer product chemical weight fractions from ingredient lists journal November 2017
Development of a consumer product ingredient database for chemical exposure screening and prioritization journal March 2014
Exploring consumer exposure pathways and patterns of use for chemicals in the environment journal January 2015
The Chemical and Products Database (CPDat) MySQL Data File dataset January 2017
The Chemical and Products Database (CPDat) MySQL Data File dataset January 2017
The Chemical and Products Database (CPDat) MySQL Data File dataset January 2021
Consumer Product Chemical Weight Fractions from Ingredient Lists dataset January 2018

Cited By (10)

Toxicity testing in the 21st century: progress in the past decade and future perspectives journal December 2019
Establishing a system of consumer product use categories to support rapid modeling of human exposure journal November 2019
Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns journal August 2019
Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challenges journal January 2019
Evaluation of reverse osmosis drinking water treatment of riverbank filtrate using bioanalytical tools and non-target screening journal January 2020
The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency journal March 2019
Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization journal September 2019
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry journal November 2017
“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies journal August 2018
High-Throughput Screening to Predict Chemical-Assay Interference journal March 2020

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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