水性涂料中半挥发性化合物的非靶向筛查及其潜在危害评估

Untargeted Screening and Potential Hazard Assessment of Semi-volatile Compounds in Water-borne Coating

采用气相色谱-质谱联用法(GC-MS)对3种水性涂料中的半挥发性物质进行非靶向筛查。以甲醇为溶剂超声辅助提取3种自然干燥水性涂料中的化合物后,结合MS-DIAL软件、保留指数和NIST质谱库进行非靶向定性分析,初步得到包括芳香烃、羰基化合物、酯基化合物等63种半挥发性化合物。丙烯酸-2-乙基己酯、丙烯酸异辛酯和甲基丙烯酸-2-乙基己酯是样品涂料中的聚合单体,并在3种样品中识别出不同含量的添加助剂,例如三乙二醇单丁醚、2,4,7,9-四甲基-5-癸炔-4,7-二醇等,以及包括2-乙基己醇、月桂醇、邻苯二甲酸二丁酯等疑似非有意添加物质(NIAS)。利用T.E.S.T(Toxicity Estimation Software Tool)软件和VEGA QSAR软件分别预测评估其急性毒性、发育毒性、致癌致突变性和Cramer等级。结果显示,水性涂料的安全风险主要来源于含有Cl、N和Si元素的NIAS,以及2-乙基己醇、苯乙烯、丙烯酸-2-乙基己酯等物质,因此需重点关注,而其余有意添加物质(IAS)的潜在毒性危害均较低。

Untargeted screening of semi-volatile compounds in three water-borne coatings was conducted by using gas chromatography-mass spectrometer(GC-MS).Combined with retention time and NIST mass database,unknown chemicals extracted with methanol under the ultrasonic were deconvolved and determined via MS-DIAL software.63 semi-volatile compounds were tentatively identified,including aromatic hydrocarbons,carbonyl compounds and ester compounds.To highlight the chemicals of concern,substances with similar structures were quantified by external standard method.The results showed that,polymerization monomers,including 2-ethylhexyl acrylate,isooctyl acrylate and 2-ethylhexanol methacrylate were found in three water-borne coating samples.Meanwhile,added additives of different concentrations,such as ethanol,2-[2-(2-butoxyethoxy)ethoxy]-,2,4,7,9-tetramethyl-5-decyne-4,7-diol as well as potential non-intentionally added substances(NIAS),such as 2-ethylhexanol,dodecanol,dibutyl phthalate,were detected in the coating samples.Furthermore,to elucidate the potential risk source of water-borne coatings,their multiple toxicity endpoints of acute toxicity,developmental toxicity,mutagenicity,carcinogenicity and Cramer class were evaluated using toxicity estimation software tool(T.E.S.T)and VEGA QSAR.It could be found that the safety risks of water-borne coatings mainly originate from Cl,N or Si element-contained NIAS,and substances of high concern,e.g.,2-ethylhexanol,styrene and 2-ethylhexyl acrylate,while other intentionally added substances(IAS)are relatively much safer.