(1R,3S)-3-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735275-05-5]

Identification

• Name: (1R,3S)-3-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: cis-3-[2-(2-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735275-05-5
• SMILES: O=C(C[C@@H]1C[C@@H](CCC1)C(O)=O)c2ccccc2C
• InChI: 1S/C16H20O3/c1-11-5-2-3-8-14(11)15(17)10-12-6-4-7-13(9-12)16(18)19/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: MJPXWEPTEXEQDZ-QWHCGFSZSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 431.744°C at 760 mmHg (Cal.)
• Flash point: 229.051°C (Cal.)
• Refractive index: 1.541 (Cal.)