3-Cyano-1-(2-Phenyl-1,3-Dioxolan-2-Yl)-3-Heptanyl Ethaneperoxoate
[CAS# 58422-92-7]

Identification

• Name: 3-Cyano-1-(2-Phenyl-1,3-Dioxolan-2-Yl)-3-Heptanyl Ethaneperoxoate
• Synonyms: 1-Cyano-1-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]pentyl ethaneperoxoate #; ethaneperoxic acid, 1-cyano-1-(2-(2-phenyl-1,3-dioxolan-2-yl)ethyl)pentyl ester
• Molecular Formula: C₁₉H₂₅NO₅
• Molecular Weight: 347.41
• CAS Registry Number: 58422-92-7
• SMILES: N#CC(OOC(=O)C)(CCCC)CCC1(OCCO1)c2ccccc2
• InChI: 1S/C19H25NO5/c1-3-4-10-18(15-20,25-24-16(2)21)11-12-19(22-13-14-23-19)17-8-6-5-7-9-17/h5-9H,3-4,10-14H2,1-2H3
• InChIKey: XBNHWTBTLQIXHU-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 461.607°C at 760 mmHg (Cal.)
• Flash point: 201.143°C (Cal.)