5,6-Heptadien-2-One
[CAS# 20449-20-1]

Identification

• Name: 5,6-Heptadien-2-One
• Molecular Formula: C₇H₁₀O
• Molecular Weight: 110.15
• CAS Registry Number: 20449-20-1
• SMILES: CC(=O)CCC=C=C
• InChI: 1S/C7H10O/c1-3-4-5-6-7(2)8/h4H,1,5-6H2,2H3
• InChIKey: HDLLMNOIFRGFIG-UHFFFAOYSA-N

Properties

• Density: 0.816g/cm³ (Cal.)
• Boiling point: 163.653°C at 760 mmHg (Cal.)
• Flash point: 46.851°C (Cal.)
• Refractive index: 1.421 (Cal.)

References

• (1): Alfred Viola John H. MacMillan. A Novel Steric Effect in the Thermolysis of Prop-2-ynyl Vinyl Carbinols, Google Docs