n-Pentyl 3-Methyl-2-pentyl Phthalate-d4

Ref. TR-P283627

Product Information

• Name: n-Pentyl 3-Methyl-2-pentyl Phthalate-d4
• Synonyms: 2-O-(3-methylpentan-2-yl) 1-O-pentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Description

Applications n-Pentyl 3-Methyl-2-pentyl Phthalate-d4, is the labeled form of n-Pentyl 3-Methyl-2-pentyl Phthalate (P283625), a phthalate ester, which are ubiquitous environmental contaminants that interact with peroxisome proliferator-activated receptors (PPARs), a family of nuclear receptors. It is used as a plasticizer to impart softness and flexibility to PVC products.
References Kaya, T., et al.: Chem. Res. Toxic., 19 (8), 999 (2006); Matter, H., et al.: Bioorg. Med. Chem., 20 (18), 5352 (2012);

• Brand: TRC

Chemical properties

• Molecular weight: 324.448
• Formula: C₁₉D₄H₂₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C19H28O4/c1-5-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-15(4)14(3)6-2/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3/i8D,9D,11D,12D
• InChI key: InChIKey=QCVVHVRKVMXOGS-RHMWTUETSA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)OC(C)C(C)CC)c(C(=O)OCCCCC)c1[2H]