3-Ketooctanoic Acid
[CAS# 13283-91-5]

Identification

• Name: 3-Ketooctanoic Acid
• Synonyms: 3-Ketocaprylic Acid; 3-Keto-N-Caprylic Acid; 3-Oxo-Octanoic Acid
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.20
• CAS Registry Number: 13283-91-5
• SMILES: C(C(=O)O)C(CCCCC)=O
• InChI: 1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
• InChIKey: FWNRRWJFOZIGQZ-UHFFFAOYSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 275.55°C at 760 mmHg (Cal.)
• Flash point: 134.693°C (Cal.)