3-(1,3-Benzodioxol-5-Yl)-1-Propen-1-Ol Acetate
[CAS# 42461-90-5]

Identification

• Name: 3-(1,3-Benzodioxol-5-Yl)-1-Propen-1-Ol Acetate
• Synonyms: Acetic Acid [(E)-3-(1,3-Benzodioxol-5-Yl)Prop-1-Enyl] Ester; [(E)-3-(1,3-Benzodioxol-5-Yl)Prop-1-Enyl] Ethanoate; Ccris 733
• Molecular Formula: C₁₂H₁₂O₄
• Molecular Weight: 220.22
• CAS Registry Number: 42461-90-5
• SMILES: C1=C(C\C=C\OC(=O)C)C=CC2=C1OCO2
• InChI: 1S/C12H12O4/c1-9(13)14-6-2-3-10-4-5-11-12(7-10)16-8-15-11/h2,4-7H,3,8H2,1H3/b6-2+
• InChIKey: AITBOCKNEMIZFG-QHHAFSJGSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 338.056°C at 760 mmHg (Cal.)
• Flash point: 149.595°C (Cal.)