Characterization of photoproducts and global ecotoxicity of chlorphenesin: A preservative used in skin care products.
Manel Ben OuaghremSegolene de VaugeladeSophie BourcierChristophe GentyStephane PirnayStephane BouchonnetPublished in: International journal of cosmetic science (2022)
Photolysis experiments of chlorphenesin, used as a preservative in cosmetic products, were performed in aqueous solution and on a cream used in cosmetics. Three by-products resulting from the direct UV-visible photodegradation of chlorphenesin were characterized by chromatography (gas and liquid) coupled with tandem mass spectrometry (GC-MS/MS and LC-HR MS/MS) and found in both solutions. In vitro tests on Vibrio fischeri bacteria showed that the overall ecotoxicity of chlorphenesin increased with increasing irradiation time in both samples. In silico QSAR (Quantitative Structure Activity Relationship) tests were performed using T.E.S.T. (Toxicity Estimation Software Tool). Among the degradation compounds identified, 4-chlorophenol must contribute to the increased ecotoxicity of the photolyzed solution since the in silico LC50 estimated for all tests performed are always lower than those obtained for chlorphenesin.
Keyphrases
- tandem mass spectrometry
- ultra high performance liquid chromatography
- simultaneous determination
- high performance liquid chromatography
- liquid chromatography
- ms ms
- gas chromatography
- structure activity relationship
- aqueous solution
- liquid chromatography tandem mass spectrometry
- molecular docking
- solid phase extraction
- mass spectrometry
- high resolution
- high resolution mass spectrometry
- healthcare
- escherichia coli
- palliative care
- oxidative stress
- molecular dynamics
- ionic liquid
- radiation therapy
- wound healing
- carbon dioxide