CAS 93952-13-7: 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester

Dioctyl phthalate-3,4,5,6-d4 is a chemical used in the synthesis of polyvinyl chloride. It has a high specificity for the determination of chloride ions in water samples and is commonly used as a reagent for chemical ionization mass spectrometry for the analysis of organic compounds. Dioctyl phthalate-3,4,5,6-d4 is also used to extract butyl benzyl phthalate from foodstuffs. The oxidation products of dioctyl phthalate-3,4,5,6-d4 include 3-(2'-hydroxyethyl)-1-methylpyrrolidine and 1-(2'-hydroxyethyl)piperidine that are found in human urine after ingestion of this compound.

Applications A labelled phthalate ester used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM). References Irvin, E.A. et al.: Chemosphere, 80, 1301 (2010); Petersen, J.H. et al.: Food Add. Contam. Part A Chem. Anal. Cont. Expos. Risk. Assess., 27, 1608 (2010); Kwack, S.J. et al.: Toxicol. Res., 26, 75 (2010);