(1R,2S)-2-[2-(2-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735274-73-4]

Identification

• Name: (1R,2S)-2-[2-(2-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: MFCD01311383; trans-2-[2-(2-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid; trans-2-[2-(2-Methoxyphenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₄
• Molecular Weight: 276.33
• CAS Registry Number: 735274-73-4
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccccc1OC
• InChI: 1S/C16H20O4/c1-20-15-9-5-4-8-13(15)14(17)10-11-6-2-3-7-12(11)16(18)19/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19)/t11-,12+/m0/s1
• InChIKey: BFSKIJULWXKKEX-NWDGAFQWSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Melting point: 109-111°C (Expl.)
• Boiling point: 449.899°C at 760 mmHg (Cal.)
• Flash point: 164.727°C (Cal.)
• Refractive index: 1.536 (Cal.)

Safety Data

• Safety Description: IRRITANT