(1R,3S)-3-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-85-9]

Identification

• Name: (1R,3S)-3-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(2,6-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735269-85-9
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2c(C)cccc2C
• InChI: 1S/C16H20O3/c1-10-5-3-6-11(2)14(10)15(17)12-7-4-8-13(9-12)16(18)19/h3,5-6,12-13H,4,7-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: IDPABNFIIZHOJO-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.)