(1R,2S)-2-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735274-70-1]

Identification

• Name: (1R,2S)-2-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-(2-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33
• CAS Registry Number: 735274-70-1
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccccc1C
• InChI: 1S/C16H20O3/c1-11-6-2-4-8-13(11)15(17)10-12-7-3-5-9-14(12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m0/s1
• InChIKey: ICLZGZSRHXXNBG-GXTWGEPZSA-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.)