3-Isopropylidene-6-Methyl-5-Hepten-2-One
[CAS# 2520-63-0]

Identification

• Name: 3-Isopropylidene-6-Methyl-5-Hepten-2-One
• Synonyms: 3-ACETYL-2,6-DIMETHYL-2,5-HEPTADIENE; 6-METHYL-3-(1-METHYLETHYLIDENE)HEPT-5-EN-2-ONE
• Molecular Formula: C₁₁H₁₈O
• Molecular Weight: 166.26
• CAS Registry Number: 2520-63-0
• SMILES: CC(=O)C(/C\C=C(/C)C)=C(/C)C
• InChI: 1S/C11H18O/c1-8(2)6-7-11(9(3)4)10(5)12/h6H,7H2,1-5H3
• InChIKey: XUOWQIBGRJIEDN-UHFFFAOYSA-N

Properties

• Density: 0.858g/cm³ (Cal.)
• Boiling point: 243.815°C at 760 mmHg (Cal.)
• Flash point: 98.513°C (Cal.)
• Refractive index: 1.455 (Cal.)