5-Methyl-1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
[CAS# 56750-95-9]

Identification

• Name: 5-Methyl-1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
• Synonyms: (E)-1-(1,3-Benzodioxol-5-Yl)-5-Methyl-Hex-1-En-3-One; 5-Methyl-1-(3,4-Methylenedioxyphenyl)-1-Hexen-3-One; Brn 0018002
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.28
• CAS Registry Number: 56750-95-9
• SMILES: C2=C1OCOC1=CC=C2\C=C\C(=O)CC(C)C
• InChI: 1S/C14H16O3/c1-10(2)7-12(15)5-3-11-4-6-13-14(8-11)17-9-16-13/h3-6,8,10H,7,9H2,1-2H3/b5-3+
• InChIKey: GEJXZHXZIPMRPY-HWKANZROSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 365.195°C at 760 mmHg (Cal.)
• Flash point: 166.012°C (Cal.)