P. Vera, E. Canellas, Gitte Barknowitz
Sep 10, 2019
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Journal
Analytical chemistry
Abstract
Non-target analysis of non-volatile substances in complex samples is a very challenging task that requires powerful analytical techniques and experience of analyzing such samples. An extensive study was conducted in order to identify non-intentionally added substances (NIAS) migrating from eighteen polyethylene (PE) samples intended to be in contact with food. The migration assays were performed in five simulants and analyzed by ultra-high-performance liquid chromatography (UPLC) coupled to an ion-mobility separation (IMS) quadrupole-time of flight (QTOF) mass spectrometer. This experi-mental set-up provides a novel and powerful tool for this type of non-volatile and non-targeted analysis. Thirty-five com-pounds were identified, seventeen of which were NIAS. Methyl and ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propanoate were found to be degradation products of either irganox 1010 or irganox 1076. Additionally, break-down products including hexa - Heptadecanamide, N,N'-1,2-ethanediylbis- and 11-Eicosenamide were identified together with impurity reaction prod-ucts e.g. dibutyl amine or compounds of unknown origin like phosphine oxide, tributyl-. Forty-five percent of the detected compounds are in the positive list contained in Regulation 10/2011/EU and their migration values were below their specific migration limits. The risk assessment for the rest of the compounds was carried out by comparing their migration values to the maximum concentration recommended by Cramer. E.g. ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propanoate and ben-zenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester (both class II toxicity), heptadecanamide, N,N'-1,2-ethanediylbis- and phosphine oxide, tributyl- (both class III toxicity) were above the maximum concentration values for three samples that were migrated to ethanol 95 % , and therefore these samples are not suitable for food contact. The analytical tools and procedures used in this study are presented and discussed in detail.