Laboratoire d'analyses industrielles EXPERTOX, Paris, France.
Laboratoire de Chimie Moléculaire, CNRS UMR 9168, École Polytechnique, Institut Polytechnique de Paris, Palaiseau, France.
Int J Cosmet Sci. 2022 Feb;44(1):10-19. doi: 10.1111/ics.12760. Epub 2022 Jan 24.
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.
对作为化妆品防腐剂的氯苯甲醇在水溶液中和在化妆品中使用的乳膏中的光解实验进行了研究。通过气相色谱-串联质谱（GC-MS/MS）和液相色谱-高分辨质谱/质谱（LC-HR MS/MS）联用技术对氯苯甲醇直接紫外可见光降解产生的三种副产物进行了表征，并在两种溶液中均有发现。对发光菌属细菌的体外试验表明，在两种样品中，氯苯甲醇的整体生态毒性随着辐照时间的增加而增加。使用 T.E.S.T.（毒性估计软件工具）进行了定量构效关系（QSAR）的计算机模拟测试。在鉴定出的降解化合物中，4-氯苯酚必须是光解溶液生态毒性增加的原因，因为对所有测试进行的计算机模拟 LC50 始终低于氯苯甲醇的 LC50。
