5,5-Dimethyl-1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
[CAS# 58344-54-0]

Identification

• Name: 5,5-Dimethyl-1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
• Synonyms: (E)-1-(1,3-Benzodioxol-5-Yl)-5,5-Dimethyl-Hex-1-En-3-One; 1-Hexen-3-One, 5,5-Dimethyl-1-(3,4-Methylenedioxyphenyl)-; 5,5-Dimethyl-1-(3,4-Methylenedioxyphenyl)-1-Hexen-3-One
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 58344-54-0
• SMILES: C1=C2C(=CC=C1\C=C\C(CC(C)(C)C)=O)OCO2
• InChI: 1S/C15H18O3/c1-15(2,3)9-12(16)6-4-11-5-7-13-14(8-11)18-10-17-13/h4-8H,9-10H2,1-3H3/b6-4+
• InChIKey: LNGZEQJRNZOUHD-GQCTYLIASA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 372.32°C at 760 mmHg (Cal.)
• Flash point: 170.373°C (Cal.)