(3E)-3-Methyl-3-Heptene-2,6-Dione
[CAS# 544423-73-6]

Identification

• Name: (3E)-3-Methyl-3-Heptene-2,6-Dione
• Synonyms: 3-HEPTENE-2,6-DIONE, 3-METHYL-, (3E)- (9CI)
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• CAS Registry Number: 544423-73-6
• SMILES: O=C(\C(=C\CC(=O)C)C)C
• InChI: 1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h4H,5H2,1-3H3/b6-4+
• InChIKey: LRQPBWGHPPMRQW-GQCTYLIASA-N

Properties

• Density: 0.945g/cm³ (Cal.)
• Boiling point: 247.3°C at 760 mmHg (Cal.)
• Flash point: 90.8°C (Cal.)
• Refractive index: 1.44 (Cal.)