trans-4-Acetylcyclohexanecarboxylic acid
[CAS# 500688-80-2]

Identification

• Name: trans-4-Acetylcyclohexanecarboxylic acid
• Synonyms: (1r,4r)-4-acetylcyclohexanecarboxylic acid
• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.21
• CAS Registry Number: 500688-80-2
• SMILES: O=C(C)[C@@H]1CC[C@H](CC1)C(O)=O
• InChI: 1S/C9H14O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8-
• InChIKey: ZRKFRUWMDLOXNB-ZKCHVHJHSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 314.465°C at 760 mmHg (Cal.)
• Flash point: 158.202°C (Cal.)
• Refractive index: 1.485 (Cal.)

References

• (1): J. M. Newman, H. W. Thompson and R. A. Lalancette. trans-4-Acetylcyclohexanecarboxylic acid and (\pm)-trans-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids, Acta Cryst. (2002). C58, o693-o696