2-Cyano-2-Propanyl 2-Methyl-3-Phenylpropanoate
[CAS# 14025-74-2]

Identification

• Name: 2-Cyano-2-Propanyl 2-Methyl-3-Phenylpropanoate
• Synonyms: 1-Cyano-1-methylethyl 2-methyl-3-phenylpropanoate #; Hydrocinnamic acid, α-methyl-, ester with 2-methyllactonitrile
• Molecular Formula: C₁₄H₁₇NO₂
• Molecular Weight: 231.29
• CAS Registry Number: 14025-74-2
• SMILES: N#CC(OC(=O)C(C)Cc1ccccc1)(C)C
• InChI: 1S/C14H17NO2/c1-11(9-12-7-5-4-6-8-12)13(16)17-14(2,3)10-15/h4-8,11H,9H2,1-3H3
• InChIKey: XEDVWNPHTBYLAR-UHFFFAOYSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 349.323°C at 760 mmHg (Cal.)
• Flash point: 166.458°C (Cal.)
• Refractive index: 1.509 (Cal.)