1,1-Dimethyl-2-phenylethyl isobutyrate
[CAS 59354-71-1]

Identification

• Name: 1,1-Dimethyl-2-phenylethyl isobutyrate
• Synonyms: (1,1-Dimethyl-2-Phenyl-Ethyl) 2-Methylpropanoate; 2-Methylpropanoic Acid (1,1-Dimethyl-2-Phenylethyl) Ester; 2-Methylpropionic Acid (1,1-Dimethyl-2-Phenyl-Ethyl) Ester
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• CAS Registry Number: 59354-71-1
• EINECS: 261-715-3
• SMILES: C1=C(CC(OC(C(C)C)=O)(C)C)C=CC=C1
• InChI: 1S/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
• InChIKey: KOEHGIXXSWVEPT-UHFFFAOYSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 288.585°C at 760 mmHg (Cal.)
• Flash point: 102.55°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 9663