1,3-Benzodioxol-5-Ylmethyl Isovalerate
[CAS# 84604-42-2]

Identification

• Name: 1,3-Benzodioxol-5-Ylmethyl Isovalerate
• Synonyms: 3-Methylbutanoic Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 3-Methylbutyric Acid 1,3-Benzodioxol-5-Ylmethyl Ester; Nsc44520
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.27
• CAS Registry Number: 84604-42-2
• EINECS: 283-322-6
• SMILES: C1=C2C(=CC=C1COC(=O)CC(C)C)OCO2
• InChI: 1S/C13H16O4/c1-9(2)5-13(14)15-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3
• InChIKey: HETOAXKLYRCONC-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 316.074°C at 760 mmHg (Cal.)
• Flash point: 136.447°C (Cal.)