Data for: Identification of avobenzone by-products formed by various disinfectants in different swimming pool waters

The manuscript deals with the transformation of avobenzone, a widespread UV filter, under disinfection conditions. In its pure form avobenzone is known to undergo several transformations including photo-isomerisation, photodegradation, and halogenation. Over 60 disinfection by-products were identified as transformation products of avobenzone in different disinfecting reactions of chlorination and bromination in fresh and sea water. Two occasional samples of swimming pool water demonstrated the presence of some of these by-products in rather high levels. Although the toxicity of the majority of these products remain unknown substituted chlorinated phenols and acetophenones are known to be rather toxic. Aquatic bromination of avobenzone resulted in the identification of 33 DBPs. Many of them contain bromine in the molecular structure. Addition of copper salt slightly decreases conversion rate simultaneously increasing the levels of major brominated products. Special attention requires 65-fold increase of the toxic bromoform level. After 24 hours of bromination bromoform becomes the major product of the reaction. Degradation of 3 commercial sunscreen products (solar protection factor 30) containing avobenzone under different experimental conditions including UVA/UVB, UVC photostimulation and chlorination was studied. The commercial sunscreen products have completely different enhancing and inhibitory effect on avobenzone degradation under UVC light. The complex composition of commercial products caused also a protective shield in case of chlorinated solutions of commercial formulations exposed to chlorine and UVA/UVB light at the same time.本研究聚焦于广谱紫外线过滤剂阿伏苯宗（avobenzone）在消毒条件下的转化行为。纯态阿伏苯宗已知可发生多种转化反应，包括光异构化、光降解及卤化。在淡水与海水中的氯化、溴化等不同消毒反应体系中，共鉴定出60余种阿伏苯宗的转化产物——消毒副产物（disinfection by-products, DBPs）。对2份偶然采集的泳池水样分析显示，部分此类副产物的含量颇高。尽管多数副产物的毒性尚未明确，但已知取代氯化酚与苯乙酮类化合物具有较强毒性。 阿伏苯宗的水相溴化反应中共鉴定出33种消毒副产物，其中多数分子结构中含有溴原子。添加铜盐可略微降低反应转化率，同时提升主要溴化产物的生成量。值得特别关注的是，有毒溴仿的含量提升了65倍；在溴化反应进行24小时后，溴仿成为该反应的主要产物。 本研究还考察了3款含阿伏苯宗的商用防晒产品（防晒指数30）在不同实验条件下的降解行为，实验条件包括UVA/UVB照射、UVC光刺激及氯化处理。研究发现，不同商用防晒产品对UVC光照下阿伏苯宗的降解分别表现出完全不同的促进或抑制作用。商用防晒产品的复杂组分还可形成防护屏障，当含该类配方的氯化溶液同时暴露于氯与UVA/UVB光照时，即可发挥此防护效果。