1-(1,3-Benzodioxol-5-Yl)Prop-2-En-1-One
[CAS# 30418-53-2]

Identification

• Name: 1-(1,3-Benzodioxol-5-Yl)Prop-2-En-1-One
• Synonyms: 1'-Oxosafrole; 2-Propen-1-One, 1-(1,3-Benzodioxol-5-Yl)-; 3',4'-(Methylenedioxy)Acrylophenone
• Molecular Formula: C₁₀H₈O₃
• Molecular Weight: 176.17
• CAS Registry Number: 30418-53-2
• SMILES: C2=C1OCOC1=CC=C2C(=O)C=C
• InChI: 1S/C10H8O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5H,1,6H2
• InChIKey: LNOUMTOCQWMBOJ-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 303.172°C at 760 mmHg (Cal.)
• Flash point: 128.052°C (Cal.)