4-Anisoyl-3-(1,2,2-Trimethylcyclopentane Carboxylic Acid)
[CAS# 82801-37-4]

Identification

• Name: 4-Anisoyl-3-(1,2,2-Trimethylcyclopentane Carboxylic Acid)
• Synonyms: (1S,3R)-3-(4-Methoxybenzoyl)-1,2,2-Trimethyl-Cyclopentane-1-Carboxylic Acid; (1S,3R)-3-[(4-Methoxyphenyl)-Oxomethyl]-1,2,2-Trimethyl-1-Cyclopentanecarboxylic Acid; (1S,3R)-3-(4-Methoxyphenyl)Carbonyl-1,2,2-Trimethyl-Cyclopentane-1-Carboxylic Acid
• Molecular Formula: C₁₇H₂₂O₄
• Molecular Weight: 290.36
• CAS Registry Number: 82801-37-4
• SMILES: [C@@]1(C([C@@H](CC1)C(C2=CC=C(C=C2)OC)=O)(C)C)(C(=O)O)C
• InChI: 1S/C17H22O4/c1-16(2)13(9-10-17(16,3)15(19)20)14(18)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,20)/t13-,17+/m0/s1
• InChIKey: JZMUCLZEZUFWDA-SUMWQHHRSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 446.073°C at 760 mmHg (Cal.)
• Flash point: 159.622°C (Cal.)