2-Oxocyclohexanecarboxylic Acid
[CAS# 18709-01-8]

Identification

• Name: 2-Oxocyclohexanecarboxylic Acid
• Synonyms: 2-carboxycyclohexanone; 2-ketocyclohexanecarboxylic acid; 2-oxocyclohexanecarboxylic acid
• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.15
• CAS Registry Number: 18709-01-8
• SMILES: C1CCC(=O)C(C1)C(=O)O
• InChI: 1S/C7H10O3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2,(H,9,10)
• InChIKey: POROIMOHDIEBBO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 309.7±35.0°C at 760 mmHg (Cal.)
• Flash point: 155.3±22.4°C (Cal.)
• Refractive index: 1.5 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Eric J. Beckman and Pradip Munshi. Ambient carboxylation on a supported reversible CO2 carrier: ketone to β-keto ester, Green Chem., 2011, 13, 376.