3,3-Dimethylbutyric Acid Benzyl Ester
[CAS# 61066-88-4]

Identification

• Name: 3,3-Dimethylbutyric Acid Benzyl Ester
• Synonyms: 3,3-Dimethylbutanoic Acid Phenylmethyl Ester; 3,3-Dimethylbutyric Acid Benzyl Ester; Butanoic Acid, 3,3-Dimethyl-, Phenylmethyl Ester
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 61066-88-4
• SMILES: C1=CC=C(C=C1)COC(=O)CC(C)(C)C
• InChI: 1S/C13H18O2/c1-13(2,3)9-12(14)15-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
• InChIKey: WLTKXQISYPBOSS-UHFFFAOYSA-N

Properties

• Density: 0.99g/cm³ (Cal.)
• Boiling point: 266.871°C at 760 mmHg (Cal.)
• Flash point: 97.793°C (Cal.)