4,7,9-Megastigmatrien-3-One
[CAS# 5896-02-6]

Identification

• Name: 4,7,9-Megastigmatrien-3-One
• Synonyms: 4-[(1E)-Buta-1,3-Dienyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-One; 4-[(1E)-Buta-1,3-Dienyl]-3,5,5-Trimethyl-1-Cyclohex-2-Enone; 4-[(1E)-1,3-Butadienyl]-3,5,5-Trimethyl-2-Cyclohexen-1-One
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 5896-02-6
• EINECS: 227-587-8
• SMILES: CC1(C(C(=CC(=O)C1)C)\C=C\C=C)C
• InChI: 1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+
• InChIKey: YKVWPZJHENXDAJ-VOTSOKGWSA-N

Properties

• Density: 0.951g/cm³ (Cal.)
• Boiling point: 273.102°C at 760 mmHg (Cal.)
• Flash point: 118.664°C (Cal.)