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

MA Hong-sheng; YANG Qing-hua; LIN Qin-bao; YAN Ling-yan; WEI Xiao-fen; WANG Yue

doi:10.19969/j.fxcsxb.22061701

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

Scientific Papers | 更新时间：2023-01-04

- Untargeted Screening and Potential Hazard Assessment of Semi-volatile Compounds in Water-borne Coating
- Journal of Instrumental Analysis Vol. 41, Issue 10, Pages: 1508-1515(2022)
- 作者机构：
  
  1.珠海红塔仁恒包装股份有限公司，广东珠海 519070
  2.暨南大学包装工程研究所，广东珠海 519070
- 作者简介：
- 基金信息：
- DOI：10.19969/j.fxcsxb.22061701
  CLC：
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马洪生,杨青华,林勤保等.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[J].分析测试学报,2022,41(10):1508-1515.

MA Hong-sheng,YANG Qing-hua,LIN Qin-bao,et al.Untargeted Screening and Potential Hazard Assessment of Semi-volatile Compounds in Water-borne Coating[J].Journal of Instrumental Analysis,2022,41(10):1508-1515.
马洪生,杨青华,林勤保等.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[J].分析测试学报,2022,41(10):1508-1515. DOI： 10.19969/j.fxcsxb.22061701.

MA Hong-sheng,YANG Qing-hua,LIN Qin-bao,et al.Untargeted Screening and Potential Hazard Assessment of Semi-volatile Compounds in Water-borne Coating[J].Journal of Instrumental Analysis,2022,41(10):1508-1515. DOI： 10.19969/j.fxcsxb.22061701.

摘要

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。

Abstract

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.

关键词

水性涂料气相色谱－质谱联用（GC－MS）非靶向筛查危害评估

Keywords

water-borne coatinggas chromatography－mass spectrometry（GC－MS）untargeted screeninghazard assessment

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Ningbo Institute of Inspection and Quarantine Science and Technology

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Key Laboratory of Product Packaging and Logistics of Guangdong Higher Education Institutes，College of Packaging Engineering，Jinan University

Department of Food Science and Engineering，Jinan University

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