Abstract
This work investigates the reaction of 1-vinyl-2-pyrrolidinone (VP) and 2-piperazin-1-yletanamine (PPE) under UV radiation. Both substances are high-volume production chemicals (production >1000 tons/year) widely used in polymers, coatings and a wide array of applications, which have been classified as mobile chemicals and which can then lead to the formation of persistent and mobile transformation products (TPs). Thus, their reaction with UV light was studied by means of liquid chromatography-quadrupole-time-of-flight-mass spectrometry (LC-QTOF-MS). Both compounds presented a high reactivity, the VP quantum yield was 0.28 mol/E; whereas, PPE had a quantum yield notably higher than 1 (16 mol/E). Five and 7 TPs were identified for VP and PPE, respectively. Some of them had been already reported in literature due to sunlight photodegradation or other oxidation processes, but most of them are reported here for the first time. Finally, the acute and chronical toxicity of precursors and TPs were estimated using two quantitative structure-activity relationship (QSAR) software tools which led to some discrepancies in the estimations, pointing to the need for experimental toxicity assays for these compounds.
Highlights
Benigno José Sieira, Rosario Rodil, Rafael Cela, José Benito Quintana, Rosa Montes Department of Analytical Chemistry, Institute of Research on Chemical and Biological Analysis (IAQBUS), Universidade de Santiago de Compostela, 15782, Santiago de Compostela, Spain
Compound Name Acronym CAS Number Molecular formula Log D (pH 7.4) (1) Log P (1) Boiling point (760 mmHg) (1) Consumer uses (2)
Cosmetics and personal care products, paints, coatings, and adhesives.
Summary
Benigno José Sieira, Rosario Rodil, Rafael Cela, José Benito Quintana, Rosa Montes Department of Analytical Chemistry, Institute of Research on Chemical and Biological Analysis (IAQBUS), Universidade de Santiago de Compostela, 15782, Santiago de Compostela, Spain Compound Name Acronym CAS Number Molecular formula Log D (pH 7.4) (1) Log P (1) Boiling point (760 mmHg) (1) Consumer uses (2)
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