2-(((2-Propylhept-6-en-1-yl)oxy)carbonyl)benzoic Acid-d4

Ref. TR-P837077

Product Information

• Name: 2-(((2-Propylhept-6-en-1-yl)oxy)carbonyl)benzoic Acid-d4

Description

Applications 2-(((2-Propylhept-6-en-1-yl)oxy)carbonyl)benzoic Acid-d4 is the isotope labelled analog of 2-(((2-Propylhept-6-en-1-yl)oxy)carbonyl)benzoic Acid. 2-(((2-Propylhept-6-en-1-yl)oxy)carbonyl)benzoic Acid is an intermediate in the synthesis of 6-Hydroxy Monopropylheptylphthalate (M567075), which is a phthalate metabolite originating from a DPHP (B523500) used in plasticizers to improve chemical and physical properties.
References Kasper-Sonnenberg, M. et al.: Int. J. Hyg. Env. Health, 215, 373 (2012); Koch, H. et al.: Int. J. Hyg. Env. Health, 214, 188 (2011);

• Brand: TRC

Chemical properties

• Molecular weight: 308.41
• Formula: C₁₈H₂₀D₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C18H24O4/c1-3-5-6-10-14(9-4-2)13-22-18(21)16-12-8-7-11-15(16)17(19)20/h3,7-8,11-12,14H,1,4-6,9-10,13H2,2H3,(H,19,20)/i7D,8D,11D,12D
• InChI key: InChIKey=KQLANCZZALBXCK-CXRURWBMSA-N
• SMILES: [2H]c1c([2H])c([2H])c(C(=O)OCC(CCC)CCCC=C)c(C(=O)O)c1[2H]