3-(1,3-Benzodioxol-5-Yl)-1-Methylpropyl Acetate
[CAS# 68844-96-2]

Identification

• Name: 3-(1,3-Benzodioxol-5-Yl)-1-Methylpropyl Acetate
• Synonyms: [3-(1,3-Benzodioxol-5-Yl)-1-Methyl-Propyl] Acetate; Acetic Acid [3-(1,3-Benzodioxol-5-Yl)-1-Methylpropyl] Ester; Acetic Acid [3-(1,3-Benzodioxol-5-Yl)-1-Methyl-Propyl] Ester
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.27
• CAS Registry Number: 68844-96-2
• EINECS: 272-444-5
• SMILES: C1=CC2=C(C=C1CCC(C)OC(=O)C)OCO2
• InChI: 1S/C13H16O4/c1-9(17-10(2)14)3-4-11-5-6-12-13(7-11)16-8-15-12/h5-7,9H,3-4,8H2,1-2H3
• InChIKey: WPDTWMWIRBCOSB-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 337.149°C at 760 mmHg (Cal.)
• Flash point: 147.464°C (Cal.)