(1R,3S)-3-(2-Ethylbenzoyl)cyclohexanecarboxylic acid
[CAS# 735269-76-8]

Identification

• Name: (1R,3S)-3-(2-Ethylbenzoyl)cyclohexanecarboxylic acid
• Synonyms: cis-3-(2-ethylbenzoyl)cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735269-76-8
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2ccccc2CC
• InChI: 1S/C16H20O3/c1-2-11-6-3-4-9-14(11)15(17)12-7-5-8-13(10-12)16(18)19/h3-4,6,9,12-13H,2,5,7-8,10H2,1H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: IJHVPNGFDVUYSF-QWHCGFSZSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 437.464°C at 760 mmHg (Cal.)
• Flash point: 232.507°C (Cal.)
• Refractive index: 1.551 (Cal.)