2-Cyano-1-Ethoxy-1-Oxo-2-Hexanyl Benzoate
[CAS# 19788-60-4]

Identification

• Name: 2-Cyano-1-Ethoxy-1-Oxo-2-Hexanyl Benzoate
• Synonyms: 1-Cyano-1-(ethoxycarbonyl)pentyl benzoate #
• Molecular Formula: C₁₆H₁₉NO₄
• Molecular Weight: 289.33
• CAS Registry Number: 19788-60-4
• SMILES: N#CC(OC(=O)c1ccccc1)(C(=O)OCC)CCCC
• InChI: 1S/C16H19NO4/c1-3-5-11-16(12-17,15(19)20-4-2)21-14(18)13-9-7-6-8-10-13/h6-10H,3-5,11H2,1-2H3
• InChIKey: CWHLGKBVELSITM-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 452.477°C at 760 mmHg (Cal.)
• Flash point: 197.336°C (Cal.)
• Refractive index: 1.511 (Cal.)