Methyl 3-cyano-5-(2-methyl-2-propanyl)benzoate
[CAS# 936801-70-6]

Identification

• Name: Methyl 3-cyano-5-(2-methyl-2-propanyl)benzoate
• Synonyms: 3-Cyano-5-(2-méthyl-2-propanyl)benzoate de méthyle; 3-Cyano-5-tert-butylbenzoic acid methyl ester; 3-Cyano-5-tert-butyl-methyl benzoate
• Molecular Formula: C₁₃H₁₅NO₂
• Molecular Weight: 217.26
• CAS Registry Number: 936801-70-6
• SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C#N
• InChI: 1S/C13H15NO2/c1-13(2,3)11-6-9(8-14)5-10(7-11)12(15)16-4/h5-7H,1-4H3
• InChIKey: DSRARMMVRWKOLG-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 318.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 148.8±12.7°C (Cal.)
• Refractive index: 1.516 (Cal.)