(1R,2S)-2-[2-(4-Methylphenyl)-2-Oxoethyl]Cyclohexanecarboxylic Acid
[CAS# 27866-87-1]

Identification

• Name: (1R,2S)-2-[2-(4-Methylphenyl)-2-Oxoethyl]Cyclohexanecarboxylic Acid
• Synonyms: trans-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 27866-87-1
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccc(C)cc1
• InChI: 1S/C16H20O3/c1-11-6-8-12(9-7-11)15(17)10-13-4-2-3-5-14(13)16(18)19/h6-9,13-14H,2-5,10H2,1H3,(H,18,19)/t13-,14+/m0/s1
• InChIKey: ABHVZJQEXREWSC-UONOGXRCSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 437.16°C at 760 mmHg (Cal.)
• Flash point: 232.323°C (Cal.)
• Refractive index: 1.541 (Cal.)