(1R,3S)-3-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-84-8]

Identification

• Name: (1R,3S)-3-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(2,5-dimethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735269-84-8
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2cc(C)ccc2C
• InChI: 1S/C16H20O3/c1-10-6-7-11(2)14(8-10)15(17)12-4-3-5-13(9-12)16(18)19/h6-8,12-13H,3-5,9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: ARONDEQJGSUZSU-QWHCGFSZSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 436.389°C at 760 mmHg (Cal.)
• Flash point: 231.857°C (Cal.)
• Refractive index: 1.553 (Cal.)