(1R,2S)-2-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 85603-45-8]

Identification

• Name: (1R,2S)-2-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-2-(2,5-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 85603-45-8
• SMILES: O=C([C@H]1CCCC[C@H]1C(O)=O)c2cc(C)ccc2C
• InChI: 1S/C16H20O3/c1-10-7-8-11(2)14(9-10)15(17)12-5-3-4-6-13(12)16(18)19/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: DJWXJQQNNQJGSC-QWHCGFSZSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 436.389°C at 760 mmHg (Cal.)
• Flash point: 231.857°C (Cal.)