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.本研究聚焦于阿伏苯宗（avobenzone）——一种广泛使用的紫外线过滤剂——在消毒条件下的转化过程。已知纯态的阿伏苯宗可发生多种转化反应，包括光异构化、光降解与卤化反应。在淡水与海水的氯化、溴化消毒反应中，共鉴定出60余种阿伏苯宗的转化产物，即消毒副产物（disinfection by-products，DBPs）。两份随机采集的泳池水样检测结果显示，部分此类副产物的含量处于较高水平。尽管此类产物中绝大多数的毒性尚未明确，但已证实取代氯化酚类与取代苯乙酮类化合物具有较强毒性。阿伏苯宗在水环境中的溴化反应共鉴定出33种消毒副产物（DBPs），其中多数产物的分子结构中含有溴原子。添加铜盐可略微降低阿伏苯宗的转化速率，同时提升主要溴化产物的生成水平。需特别关注的是，有毒物质溴仿的含量较初始水平升高了65倍；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款防晒指数（SPF）为30的商用防晒产品（均含有阿伏苯宗）在不同实验条件下的降解情况，实验条件涵盖UVA（长波紫外线）/UVB（中波紫外线）照射、UVC（短波紫外线）光激发以及氯化处理。此类商用防晒产品对阿伏苯宗在UVC照射下的降解表现出完全相反的促进与抑制作用。此外，商用防晒产品的复杂组分，当其氯化制剂同时暴露于氯气与UVA/UVB照射时，可形成防护屏障。