2,2,7,7-Tetramethyl-4,5-Octadien-3-One
[CAS# 19377-97-0]

Identification

• Name: 2,2,7,7-Tetramethyl-4,5-Octadien-3-One
• Synonyms: 2,2,5,7-Tetramethyl-4,6-Octadiene-3-One
• Molecular Formula: C₁₂H₂₀O
• Molecular Weight: 180.29
• CAS Registry Number: 19377-97-0
• SMILES: CC(C(=O)\C=C(C=C(C)C)/C)(C)C
• InChI: 1S/C12H20O/c1-9(2)7-10(3)8-11(13)12(4,5)6/h7-8H,1-6H3/b10-8+
• InChIKey: PLHSXZSVEGYRDW-CSKARUKUSA-N

Properties

• Density: 0.856g/cm³ (Cal.)
• Boiling point: 257.669°C at 760 mmHg (Cal.)
• Flash point: 106.487°C (Cal.)