2-(((4-Methyl-7-oxyooctyl)oxy)carbonyl)(cyclohexane-d8)carboxylic Acid (Mixture of Diastereomers)

CAS: 1588520-62-0

Ref. TR-M329202

Product Information

• Name: 2-(((4-Methyl-7-oxyooctyl)oxy)carbonyl)(cyclohexane-d8)carboxylic Acid (Mixture of Diastereomers)
• Synonyms: Oxo-MINCH-d8

Description

Applications 2-(((4-Methyl-7-oxyooctyl)oxy)carbonyl)(cyclohexane-d8)carboxylic Acid is the labeled analogue of 2-(((4-Methyl-7-oxyooctyl)oxy)carbonyl)cyclohexanecarboxylic Acid (M329200), a secondary oxidized metabolite of the di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH) monoester (MINCH) and may be used as biomarkers of DINCH exposure. DINCH is a major substitute for some high molecular weight phthalates that adversely affect reproductive function.
References Schutze, A., et. al.: J. Chromatogr. B Analyt. Technol. Biomed. Life Sci., 895, 123 (2012)

• Brand: TRC

Chemical properties

• Molecular weight: 320.45
• Formula: C₁₇H₂₀D₈O₅
• Color/Form: Colourless To Light Yellow
• InChI: InChI=1S/C17H28O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h12,14-15H,3-11H2,1-2H3,(H,19,20)/i3D2,4D2,7D2,8D2
• InChI key: InChIKey=GDOQGHAKQNDFFH-IFBDEUHTSA-N
• SMILES: [2H]C1([2H])C(C(=O)O)C(C(=O)OCCCC(C)CCC(C)=O)C([2H])([2H])C([2H])([2H])C1([2H])[2H]