(3E)-4-(2,6,6-Trimethyl-1,3-Cyclohexadien-1-Yl)-3-Buten-2-One
[CAS# 1203-08-3]

Identification

• Name: (3E)-4-(2,6,6-Trimethyl-1,3-Cyclohexadien-1-Yl)-3-Buten-2-One
• Synonyms: 3,4-Dehydro-β-ionone; 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-3-buten-2-one #; Dehydro-β-ionone
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 1203-08-3
• SMILES: O=C(/C=C/C1=C(/C=C\CC1(C)C)C)C
• InChI: 1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
• InChIKey: UWWCASOGCPOGJP-BQYQJAHWSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 288.829°C at 760 mmHg (Cal.)
• Flash point: 124.051°C (Cal.)
• Refractive index: 1.535 (Cal.)