5-Methyl-3-Hepten-2-One
[CAS# 5090-16-4]

Identification

• Name: 5-Methyl-3-Hepten-2-One
• Synonyms: 5-Methyl-3-Hepten-2-One; 3-Hepten-2-One, 5-Methyl-
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.20
• CAS Registry Number: 5090-16-4
• SMILES: C(C(/C=C/C(=O)C)C)C
• InChI: 1S/C8H14O/c1-4-7(2)5-6-8(3)9/h5-7H,4H2,1-3H3/b6-5+
• InChIKey: QDUQNQQMHZNNTG-AATRIKPKSA-N

Properties

• Density: 0.832g/cm³ (Cal.)
• Boiling point: 173.763°C at 760 mmHg (Cal.)
• Flash point: 62.702°C (Cal.)