(1R,3S)-3-Benzoylcyclohexanecarboxylic acid
[CAS# 733742-86-4]

Identification

• Name: (1R,3S)-3-Benzoylcyclohexanecarboxylic acid
• Synonyms: cis-3-Benzoylcyclohexane-1-carboxylic acid; MFCD01311278
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.27
• CAS Registry Number: 733742-86-4
• SMILES: O=C(O)[C@H]1C[C@H](CCC1)C(=O)c2ccccc2
• InChI: 1S/C14H16O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)/t11-,12+/m0/s1
• InChIKey: LCOMXIQTOGETME-NWDGAFQWSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Melting point: 105-110°C (Expl.)
• Boiling point: 406.435°C at 760 mmHg (Cal.)
• Flash point: 213.762°C (Cal.)
• Refractive index: 1.561 (Cal.)

Safety Data

• Safety Description: IRRITANT