Butyl hydroxyethyl fumarate

Base Information

• Chemical Name: Butyl hydroxyethyl fumarate
• CAS No.: 3207-09-8
• Molecular Formula: C10H16 O5
• Molecular Weight: 216.23104
• European Community (EC) Number: 221-711-4
• DSSTox Substance ID: DTXSID7062904
• Nikkaji Number: J262.312I
• Mol file: 3207-09-8.mol

Synonyms:Butyl hydroxyethyl fumarate;3207-09-8;butyl (2-hydroxyethyl) fumarate;SCHEMBL987231;SCHEMBL987232;1-O-butyl 4-O-(2-hydroxyethyl) (E)-but-2-enedioate;DTXSID7062904;EINECS 221-711-4;2-Butenedioic acid (E)-, 2-hydroxyethyl butyl ester;(E)-2-Butenedioic acid 1-butyl 4-(2-hydroxyethyl) ester;2-Butenedioic acid (2E)-, 1-butyl 4-(2-hydroxyethyl) ester

Chemical Property of Butyl hydroxyethyl fumarate

Chemical Property:

• Vapor Pressure: 1.48E-05mmHg at 25°C
• Boiling Point: 327.9°C at 760 mmHg
• PKA: 13.79±0.10(Predicted)
• Flash Point: 122.4°C
• PSA: 72.83000
• Density: 1.128g/cm³
• LogP: 0.42140
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 216.09977361
• Heavy Atom Count: 15
• Complexity: 222

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)OCCO
• Isomeric SMILES: CCCCOC(=O)/C=C/C(=O)OCCO