Suspect Screening Analysis of Chemicals in Consumer Products
Citation:
Phillips, K., A. Yau, K. Favela, K. Isaacs, A. McEachran, Chris Grulke, A. Richard, A. Williams, J. Sobus, R. Thomas, AND J. Wambaugh. Suspect Screening Analysis of Chemicals in Consumer Products. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 52(5):3125-3135, (2018). https://doi.org/10.1021/acs.est.7b04781
Impact/Purpose:
This article describes the first experiments completed under the ExpoCast (Exposure Forecaster) contracts in support of the CSS Rapid Exposure and Dosimetry (RED) Project. We present a method to rapidly characterize chemicals in consumer products - whether they be formulations (shampoos, paints), articles (upholsteries, shower curtains), or foods (cereals) – and therefore supports broader efforts to prioritize chemicals based on potential human health risks. Estimated chemical concentrations were compared to manufacturer-reported values and other measured data. Chemical presence and concentration data can now be used to improve estimates of chemical exposure, and refine estimates of risk posed to human health and the environment.
Description:
The 2017 report by the National Academy of Sciences “Using 21st Century Science to Improve Risk-Related Evaluations” found that a major obstacle to estimating any risks posed to human health by chemicals was uncertainty in source information, including consumer product composition data. Here, the utility of suspect screening analysis to address this need is explored. A standardized approach based on two-dimensional gas chromatography-time of flight/mass spectrometry (GC×GC-TOF/MS) was used to obtain information about the presence and quantities of chemicals in common household items. Five examples each of twenty diverse consumer product categories (e.g., shampoo, clothing, breakfast cereal) were selected to evaluate the standardized approach’s ability to identify the presence of chemicals. Analysis yielded 3,802 unique chemical signatures across the 100 products, with 1,631 signatures tentatively identified using the 2008 NIST GC spectral database. Chemical standards confirmed the presence of 125 compounds. Of the 1,631 chemicals, 1,430 were not present in a public database of known consumer product chemicals. The number of chemicals identified across similar products varied; for example, among five plastic children’s toys, there were at most 121 and at least 72 tentatively identified chemicals. Chemical function information (e.g., surfactant, colorant) was obtained for 720 tentatively identified chemicals and used to ascertain why a chemical might be identified in a product. Provisional concentration estimates were evaluated and compared to manufacturer-supplied values across 10 product categories. Although occurrence of a chemical in a product does not indicate exposure, the presence of known toxicants, or the frequent occurrence of previously unstudied chemicals, will help in chemical risk prioritization.
