alpha-Oxiranyl-1,3-Benzodioxole-5-Methanol Acetate
[CAS# 59901-90-5]

Identification

• Name: alpha-Oxiranyl-1,3-Benzodioxole-5-Methanol Acetate
• Synonyms: Acetic Acid [Phenyl-(2,4,6-Trioxabicyclo[3.1.0]Hexan-1-Yl)Methyl] Ester; [Phenyl-(2,4,6-Trioxabicyclo[3.1.0]Hexan-1-Yl)Methyl] Ethanoate; 1'-Acetoxysafrole-2',3'-Oxide
• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.22
• CAS Registry Number: 59901-90-5
• SMILES: C1=CC=CC=C1C(C23C(O2)OCO3)OC(C)=O
• InChI: 1S/C12H12O5/c1-8(13)16-10(9-5-3-2-4-6-9)12-11(17-12)14-7-15-12/h2-6,10-11H,7H2,1H3
• InChIKey: JGYUUARPAOCCFC-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 325.401°C at 760 mmHg (Cal.)
• Flash point: 143.07°C (Cal.)