Characterization of structure isomers of ethylbenzalkyl dimethyl ammonium chlorides and quantification in commercial household disinfectant products

Quaternary ammonium compounds (QACs), such as benzalkonium chlorides (BACs) and ethylbenzalkyl dimethyl ammonium chlorides (EBACs), are a major class of chemicals that have been widely used in disinfectants during the pandemic. However, there has been limited information on the EBACs. Specially, structure isomers of EBACs in commercial products have not been characterized. This study involves the structural characterization and quantification of EBACs in three different commercial disinfectants by using ultrahigh resolution and cyclic ion mobility mass spectrometry (UHR-MS and cIM-MS). The toxic fractions of disinfectants were analyzed and a homologue series of EBACs were identified. The main components of the disinfectants analyzed were C12 and C14 EBACs. Furthermore, the ortho and para structural isomers of EBACs were determined based on cIM-MS data. A method for quantifying the total amount of EBACs homologues and isomers was developed and EBACs were detected in commercial disinfectants in concentrations reaching up to 213.3 mu g/mL. This study is the first to report a though evaluation of EBACs in household disinfectant products.(c) 2022 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

Automated summary

This study characterized and quantified the structure isomers of EBACs in three different commercial disinfectants using UHR-MS and cIM-MS. The main components of the disinfectants were identified as C12 and C14 EBACs, and the ortho and para structural isomers of EBACs were determined. A method for quantifying the total amount of EBACs homologues and isomers was developed. This study provides a comprehensive evaluation of EBACs in household disinfectant products for the first time.