Diisononyl Phthalate

CAS: 20548-62-3

Ref. TR-D455225

Product Information

• Name: Diisononyl Phthalate
• Synonyms: 1,2-Benzenedicarboxylic acid, bis(7-methyloctyl) ester (9CI), Phthalic acid, bis(7-methyloctyl) ester (7CI,8CI), 1-Octanol, 7-methyl-, phthalate (2:1) (8CI), Bis(7-methyloctyl) phthalate
• Brand: TRC

Description

Applications 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);

Chemical properties

• Molecular weight: 418.6093
• Formula: C₂₆H₄₂O₄
• Color/Form: Neat
• 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
• InChI key: InChIKey=HBGGXOJOCNVPFY-UHFFFAOYSA-N
• SMILES: CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C