(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one
[CAS# 86115-11-9]

Identification

• Name: (3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one
• Synonyms: (E)-3,4,5,6,6-pentamethylhept-3-en-2-one; (Z)-3,4,5,6,6-pentamethylhept-3-en-2-one; 3-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (Z)-
• Molecular Formula: C₁₂H₂₂O
• Molecular Weight: 182.30
• CAS Registry Number: 86115-11-9
• EINECS: 289-194-8
• SMILES: O=C(/C(=C(/C(C(C)(C)C)C)C)C)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.)