(1R,2S)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735274-71-2]

Identification

• Name: (1R,2S)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735274-71-2
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1cccc(C)c1
• InChI: 1S/C16H20O3/c1-11-5-4-7-13(9-11)15(17)10-12-6-2-3-8-14(12)16(18)19/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,18,19)/t12-,14+/m0/s1
• InChIKey: SHLLBHPKCWIMIB-GXTWGEPZSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 437.418°C at 760 mmHg (Cal.)
• Flash point: 232.479°C (Cal.)
• Refractive index: 1.541 (Cal.)