(1R,3S)-3-(3,4-Dimethylbenzoyl)cyclopentanecarboxylic acid
[CAS# 732253-20-2]

Identification

• Name: (1R,3S)-3-(3,4-Dimethylbenzoyl)cyclopentanecarboxylic acid
• Synonyms: cis-3-(3,4-dimethylbenzoyl)cyclopentane-1-carboxylic acid; MFCD01319707
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 732253-20-2
• SMILES: O=C(O)[C@H]1C[C@H](CC1)C(=O)c2ccc(C)c(C)c2
• InChI: 1S/C15H18O3/c1-9-3-4-11(7-10(9)2)14(16)12-5-6-13(8-12)15(17)18/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
• InChIKey: BYAPPOMPFRZHTN-QWHCGFSZSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 434.969°C at 760 mmHg (Cal.)
• Flash point: 231°C (Cal.)
• Refractive index: 1.563 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE