3-Acetyl-2-Oxepanone
[CAS# 530103-61-8]

Identification

• Name: 3-Acetyl-2-Oxepanone
• Synonyms: 2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol; 2-Oxepanone, 3-acetyl-; 2-OXEPANONE, 3-ACETYL- (9CI)
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.18
• CAS Registry Number: 530103-61-8
• SMILES: O=C(C1C(=O)OCCCC1)C
• InChI: 1S/C8H12O3/c1-6(9)7-4-2-3-5-11-8(7)10/h7H,2-5H2,1H3
• InChIKey: IXTPBRWAYLOKBM-UHFFFAOYSA-N

Properties

• Density: 1.092g/cm³ (Cal.)
• Boiling point: 310.178°C at 760 mmHg (Cal.)
• Flash point: 138.466°C (Cal.)
• Refractive index: 1.453 (Cal.)