4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one
[CAS# 79-89-0]

Identification

• Name: 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one
• Synonyms: .Delta.-Iraldeine; 3-Buten-2-One, 3-Methyl-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-; 4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-3-Methyl-3-Buten-2-One
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.33
• CAS Registry Number: 79-89-0
• EINECS: 201-231-1
• SMILES: CC1(C)C(=C(CCC1)C)\C=C(\C)C(C)=O
• InChI: 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9-
• InChIKey: NSSHGPBKKVJJMM-LUAWRHEFSA-N

Properties

• Density: 0.938g/cm³ (Cal.)
• Boiling point: 301.276°C at 760 mmHg (Cal.)
• Flash point: 130.93°C (Cal.)