1,1-Dimethyl-3-phenylpropyl isobutyrate
[CAS# 10031-71-7]

Identification

• Name: 1,1-Dimethyl-3-phenylpropyl isobutyrate
• Synonyms: (1,1-Dimethyl-3-Phenyl-Propyl) 2-Methylpropanoate; 2-Methylpropanoic Acid (1,1-Dimethyl-3-Phenylpropyl) Ester; 2-Methylpropionic Acid (1,1-Dimethyl-3-Phenyl-Propyl) Ester
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 10031-71-7
• EINECS: 233-092-8
• FEMA: 2736
• SMILES: C1=CC=CC=C1CCC(OC(C(C)C)=O)(C)C
• InChI: 1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
• InChIKey: WCEXWNUHYPYHDN-UHFFFAOYSA-N

Properties

• Density: 0.969g/cm³ (Cal.)
• Boiling point: 314.461°C at 760 mmHg (Cal.)
• Flash point: 109.757°C (Cal.)
• Refractive index: 1.475-1.485 (Expl.)