Fumaric acid 1-butyl 4-(oxiran-2-yl)methyl ester

Base Information

• Chemical Name: Fumaric acid 1-butyl 4-(oxiran-2-yl)methyl ester
• CAS No.: 25876-07-7
• Molecular Formula: C11H16 O5
• Molecular Weight: 228.27
• Nikkaji Number: J49.564F
• Mol file: 25876-07-7.mol

Synonyms:2-Butenedioic acid (E)-, butyl oxiranylmethyl ester (9CI);Fumaric acid 1-butyl 4-(oxiran-2-yl)methyl ester;SCHEMBL11416498;SCHEMBL11416502

Chemical Property of Fumaric acid 1-butyl 4-(oxiran-2-yl)methyl ester

Chemical Property:

• Vapor Pressure: 7.53E-05mmHg at 25°C
• Refractive Index: 1.4420 (estimate)
• Boiling Point: 342.4°Cat760mmHg
• Flash Point: 150.9°C
• PSA: 65.13000
• Density: 1.152g/cm³
• LogP: 0.82790
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 228.09977361
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C=CC(=O)OCC1CO1
• Isomeric SMILES: CCCCOC(=O)/C=C/C(=O)OCC1CO1