2,4-Bis(2-ethylhexyl) Benzene-1,2,4-tricarboxylic Acid 1-Benzyl Ester-d34

Ref. TR-B433862

Product Information

• Name: 2,4-Bis(2-ethylhexyl) Benzene-1,2,4-tricarboxylic Acid 1-Benzyl Ester-d34
• Synonyms: 1-O-benzyl 2-O,4-O-bis[1,1,2,3,3,4,4,5,5,6,6,6-dodecadeuterio-2-(1,1,2,2,2-pentadeuterioethyl)hexyl] benzene-1,2,4-tricarboxylate
• Brand: TRC
• Description: Applications 2,4-Bis(2-ethylhexyl) benzene-1,2,4-tricarboxylic Acid 1-Benzyl Ester-d34 is an isotope labelled intermediate in the synthesis of Trioctyl Trimellitate (T804400), a plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay.

Chemical properties

• Molecular weight: 558.898
• Formula: C₃₂D₃₄H₁₀O₆
• Color/Form: Neat
• InChI: InChI=1S/C32H44O6/c1-5-9-14-24(7-3)21-36-30(33)27-18-19-28(31(34)38-23-26-16-12-11-13-17-26)29(20-27)32(35)37-22-25(8-4)15-10-6-2/h11-13,16-20,24-25H,5-10,14-15,21-23H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,14D2,15D2,21D2,22D2,24D,25D
• InChI key: InChIKey=RWVICRYPOURHIL-GCMFMSLKSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])OC(=O)c1ccc(C(=O)OCc2ccccc2)c(C(=O)OC([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])c1)C([2H])([2H])C([2H])([2H])[2H]