6-Benzoyl-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
[CAS 93015-58-8]

Identification

• Name: 6-Benzoyl-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
• Synonyms: 3,4-dimethyl-6-(phenylcarbonyl)cyclohex-3-enecarboxylic acid; 6-Benzoyl-3,4-dimethyl-3-cyclohexene-1-carboxylic acid; 6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID
• Molecular Formula: C₁₆H₁₈O₃
• Molecular Weight: 258.31
• CAS Registry Number: 93015-58-8
• SMILES: CC1=C(CC(C(C1)C(=O)C2=CC=CC=C2)C(=O)O)C
• InChI: 1S/C16H18O3/c1-10-8-13(14(16(18)19)9-11(10)2)15(17)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,18,19)
• InChIKey: NTBMZRJTZGTJRB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 423.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 223.8±25.2°C (Cal.)

Safety Data

• Safety Description: IRRITANT