(3S,4E,6E)-3-Methyl-4,6-Octadien-2-One
[CAS# 116454-34-3]

Identification

• Name: (3S,4E,6E)-3-Methyl-4,6-Octadien-2-One
• Synonyms: (S,4E,6E)-3-methylocta-4,6-dien-2-one
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• CAS Registry Number: 116454-34-3
• SMILES: C/C=C/C=C/[C@H](C)C(=O)C
• InChI: 1S/C9H14O/c1-4-5-6-7-8(2)9(3)10/h4-8H,1-3H3/b5-4+,7-6+/t8-/m0/s1
• InChIKey: PNFIYBQOUPIIHJ-MBFKRBPYSA-N

Properties

• Density: 0.854g/cm³ (Cal.)
• Boiling point: 200.311°C at 760 mmHg (Cal.)
• Flash point: 64.661°C (Cal.)
• Refractive index: 1.454 (Cal.)