1,3-Benzodioxol-5-Ylmethyl 2-Methylbutyrate
[CAS# 84604-43-3]

Identification

• Name: 1,3-Benzodioxol-5-Ylmethyl 2-Methylbutyrate
• Synonyms: 2-Methylbutanoic Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 2-Methylbutyric Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 1,3-Benzodioxol-5-Ylmethyl 2-Methylbutyrate
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.27
• CAS Registry Number: 84604-43-3
• EINECS: 283-323-1
• SMILES: C1=C(COC(=O)C(CC)C)C=CC2=C1OCO2
• InChI: 1S/C13H16O4/c1-3-9(2)13(14)15-7-10-4-5-11-12(6-10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3
• InChIKey: BDQVWTJEMUNXSJ-UHFFFAOYSA-N

Properties

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