Methyl 3-Methyl-3-Phenylbutanoate
[CAS# 25080-84-6]

Identification

• Name: Methyl 3-Methyl-3-Phenylbutanoate
• Synonyms: 3-Methyl-3-phenylbutanoic acid, methyl ester; Hydrocinnamic acid, β,β-dimethyl-, methyl ester
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• CAS Registry Number: 25080-84-6
• SMILES: O=C(OC)CC(c1ccccc1)(C)C
• InChI: 1S/C12H16O2/c1-12(2,9-11(13)14-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: HADBALPGBGLKDU-UHFFFAOYSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 251.3°C at 760 mmHg (Cal.)
• Flash point: 97.012°C (Cal.)
• Refractive index: 1.49 (Cal.)