(1R,2S)-2-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 733742-68-2]

Identification

• Name: (1R,2S)-2-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-2-(2,6-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 733742-68-2
• SMILES: O=C([C@H]1CCCC[C@H]1C(O)=O)c2c(C)cccc2C
• InChI: 1S/C16H20O3/c1-10-6-5-7-11(2)14(10)15(17)12-8-3-4-9-13(12)16(18)19/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: KPDXKWXAVCEDNQ-QWHCGFSZSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 431.532°C at 760 mmHg (Cal.)
• Flash point: 228.923°C (Cal.)
• Refractive index: 1.553 (Cal.)