2-Cyano-1-Ethoxy-4-Methyl-1-Oxo-2-Pentanyl Benzoate
[CAS# 19788-61-5]

Identification

• Name: 2-Cyano-1-Ethoxy-4-Methyl-1-Oxo-2-Pentanyl Benzoate
• Synonyms: 1-Cyano-1-(ethoxycarbonyl)-3-methylbutyl benzoate #
• Molecular Formula: C₁₆H₁₉NO₄
• Molecular Weight: 289.33
• CAS Registry Number: 19788-61-5
• SMILES: N#CC(OC(=O)c1ccccc1)(C(=O)OCC)CC(C)C
• InChI: 1S/C16H19NO4/c1-4-20-15(19)16(11-17,10-12(2)3)21-14(18)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3
• InChIKey: HSJQIDUZNSELDA-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 446.6°C at 760 mmHg (Cal.)
• Flash point: 194.873°C (Cal.)
• Refractive index: 1.509 (Cal.)