Volatile organic compound (VOC) emissions from the usage of benzalkonium chloride and other disinfectants based on quaternary ammonium compounds
Volatile organic compound (VOC) emissions from the usage of benzalkonium chloride and other disinfectants based on quaternary ammonium compounds
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使用苯扎氯铵和其他季铵化合物消毒剂产生的挥发性有机化合物 (VOC) 排放
DOI：
10.1039/d2ea00054g
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发表时间：
2023
期刊：
影响因子：
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通讯作者：
Misztal, Pawel K.
中科院分区：
文献类型：
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作者：
Jahn, Leif G.;Tang, Mengjia;Blomdahl, Daniel;Bhattacharyya, Nirvan;Abue, Pearl;Novoselac, Atila;Ruiz, Lea Hildebrandt;Misztal, Pawel K.
季铵化合物（QAC）是一类常用作住宅及工业消毒剂的分子，近年来及COVID大流行期间其流行率有所增加。QAC通常被认为是相对惰性和非挥发性的;然而，对QAC商业产品（CP）在使用过程中释放挥发性有机化合物（VOC）的倾向知之甚少。我们进行了一系列的环境室和解决方案的顶空测量使用Vocus质子转移反应飞行时间质谱仪（PTR-ToF-MS），以检查VOC排放量在模拟喷雾的纯苯扎氯铵（BAC），几个CP的主要活性成分包括BAC和二癸基二甲基氯化铵（DDAC），和CP含有一种新的硅基QAC的稀溶液。在喷洒纯BAC溶液期间观察到许多VOC，包括官能化苄基化合物、氯甲苯和小官能化烃;这些VOC可能来自BAC合成过程。从氯化石蜡中也检测到了类似的排放特征，但由于商业配方的化学复杂性，具体来源归属具有挑战性，其中包括有助于溶解和稳定QAC的分子（除其他作用外）。甲硅烷基-QAC的顶空测量表明官能化的丙基甲硅烷基分子挥发，其确切来源和结构无法确定。在C7 H7+离子以及质子化的[M]H+物质或其他离子处检测到官能化的苄基化合物，从而深入了解可以产生C7 H7+离子特征的结构，该特征通常在室内和城市环境的PTR-ToF测量期间检测到。在纯BAC溶液中，所识别的苄基分子可能无法解释所测量的C7 H7+信号的全部，从而可能存在未识别的VOC。总体而言，目前的测量结果表明，QAC溶液本身不是惰性或非挥发性的，并且会释放出各种VOC，具体取决于所含QAC和产品配方的特性和纯度。
Quaternary ammonium compounds (QACs) are a class of molecules commonly used as residential and industrial disinfectants whose prevalence has increased in recent years and during the COVID pandemic. QACs are typically considered relatively inert and nonvolatile; however, little is known about the propensity of QAC commercial products (CPs) to emit volatile organic compounds (VOCs) during usage. We performed a series of environmental chamber and solution headspace measurements using a Vocus proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) to examine VOC emissions during simulated spraying of a dilute solution of pure benzalkonium chloride (BAC), several CPs whose primary active ingredients include BAC and didecyl dimethyl ammonium chloride (DDAC), and a CP containing a novel silyl-based QAC. A number of VOCs were observed during spraying of pure BAC solution, including functionalized benzyl compounds, chlorotoluenes, and small functionalized hydrocarbons; these VOCs may be derived from the BAC synthesis process. Similar emission signatures were also detected from CPs, though specific source attribution was challenging due to the chemical complexity of commercial formulations, which include molecules to aid in solubilizing and stabilizing QACs (among other roles). Headspace measurements of the silyl-QAC suggest a functionalized propyl-silyl molecule is volatilized whose exact origin and structure could not be determined. Functionalized benzyl compounds are detected at the C7H7+ ion as well as at the protonated [M]H+ species or other ions, providing insight into the structures that can give rise to the C7H7+ ion signature that has commonly been detected during PTR-ToF measurements of indoor and urban environments. Within the pure BAC solution, the identified benzyl molecules may not account for the entirety of the measured C7H7+ signal, leaving open the possibility that unidentified VOCs are also present. Overall, the present measurements show that QAC solutions are not inherently inert or nonvolatile and will emit a variety of VOCs depending on the identity and purity of the contained QACs and product formulation.