Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species

摘要: In order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter environment causing serious consequences on water ecosystems. The aim of this study was examine, effect different factors, such as light, presence NaOCl and H2O2 formaldehyde formation during popular filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA) demethylation. concentration determined by VIS spectrophotometry after derivatization. reaction mixtures were qualitatively analyzed using GC/MS chromatography. highest observed in case ODPABA/H2O2/UV mixture. describe two types demethylation mechanisms, namely, radical ionic, experimental results enriched with Fukui function analysis thermodynamic calculations. non-irradiated system containing ODPABA NaOCl, probably proceeds via ionic mechanism. As it established, amino nitrogen atom molecule is most susceptible site for HOCl electrophilic attack, which first step irradiated mixtures, nature. calculations showed that abstraction hydrogen N(CH3)2 group more probable than moiety, indicates higher susceptibility oxidation.