(E)-3,4,5,6,6-Pentamethylhept-3-En-2-One
[CAS# 81786-74-5]

Identification

• Name: (E)-3,4,5,6,6-Pentamethylhept-3-En-2-One
• Synonyms: (Z)-3,4,5,6,6-Pentamethylhept-3-En-2-One; 3-Hepten-2-One, 3,4,5,6,6-Pentamethyl-, (E)-
• Molecular Formula: C₁₂H₂₂O
• Molecular Weight: 182.31
• CAS Registry Number: 81786-74-5
• EINECS: 289-194-8
• SMILES: C\C(C(C(C)(C)C)C)=C(C(C)=O)\C
• InChI: 1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8+
• InChIKey: IXIYWQIFBRZMNR-CMDGGOBGSA-N

Properties

• Density: 0.839g/cm³ (Cal.)
• Boiling point: 246.2°C at 760 mmHg (Cal.)
• Flash point: 99.893°C (Cal.)