(E)-1-(2,4,4-Trimethyl-1-Cyclohex-2-Enyl)But-2-En-1-One
[CAS# 33673-71-1]

Identification

• Name: (E)-1-(2,4,4-Trimethyl-1-Cyclohex-2-Enyl)But-2-En-1-One
• Synonyms: 1-(2,4,4-Trimethyl-2-Cyclohexen-1-Yl)-2-Buten-1-One; 1-Crotonyl-2,4,4-Trimethylcyclohex-2-Ene; 2-Buten-1-One, 1-(2,4,4-Trimethyl-2-Cyclohexen-1-Yl)-
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 33673-71-1 (39872-57-6)
• EINECS: 251-632-0
• SMILES: C/C=C/C(=O)C1C(=CC(CC1)(C)C)C
• InChI: 1S/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3/b6-5+
• InChIKey: NELDPSDYTZADSA-AATRIKPKSA-N

Properties

• Density: 0.898g/cm³ (Cal.)
• Boiling point: 267.126°C at 760 mmHg (Cal.)
• Flash point: 105.731°C (Cal.)