4-(2,2-Dimethyl-6-Methylenecyclohexyl)-3-Buten-2-One
[CAS# 79-76-5]

Identification

• Name: 4-(2,2-Dimethyl-6-Methylenecyclohexyl)-3-Buten-2-One
• Synonyms: (E)-4-(2,2-Dimethyl-6-Methylene-Cyclohexyl)But-3-En-2-One; (E)-4-(2,2-Dimethyl-6-Methylenecyclohexyl)But-3-En-2-One; (E)-4-(2,2-Dimethyl-6-Methylidene-Cyclohexyl)But-3-En-2-One
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 79-76-5
• EINECS: 201-223-8
• SMILES: CC1(C(C(CCC1)=C)\C=C\C(=O)C)C
• InChI: 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
• InChIKey: SFEOKXHPFMOVRM-BQYQJAHWSA-N

Properties

• Density: 0.911g/cm³ (Cal.)
• Boiling point: 267.811°C at 760 mmHg (Cal.)
• Flash point: 112.259°C (Cal.)