(1R,3S)-3-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-86-0]

Identification

• Name: (1R,3S)-3-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(3,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735269-86-0
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2ccc(C)c(C)c2
• InChI: 1S/C16H20O3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h6-8,12,14H,3-5,9H2,1-2H3,(H,18,19)/t12-,14+/m0/s1
• InChIKey: KNISYZCYLQJZLB-GXTWGEPZSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 447.281°C at 760 mmHg (Cal.)
• Flash point: 238.437°C (Cal.)
• Refractive index: 1.553 (Cal.)