Diisononyl Phthalate-d4

CAS: 1332965-90-8

Ref. TR-D455227

Product Information

• Name: Diisononyl Phthalate-d4
• Synonyms: 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1,2-bis(7-methyloctyl) ester, Phthalic Acid Di-isononyl Ester (3,4,5,6)-D4

Description

Applications Labelled compound of a widely used chemical with potential thyroid-disrupting properties. Used in toxicology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).
References Boas, M. et al.: Env. Health Persp., 118, 1458 (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);

• Brand: TRC

Chemical properties

• Molecular weight: 422.63
• Formula: C₂₆H₄H₃₈O₄
• Color/Form: Colourless
• InChI: InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3/i11D,12D,17D,18D
• InChI key: InChIKey=HBGGXOJOCNVPFY-ODMBGTAASA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)c1[2H]