Behenyl erucate

Base Information

• Chemical Name: Behenyl erucate
• CAS No.: 18312-32-8
• Molecular Formula: C44H86O2
• Molecular Weight: 647.15244
• European Community (EC) Number: 242-201-8
• UNII: 681898L9A8
• DSSTox Substance ID: DTXSID101317061
• Nikkaji Number: J266.117I
• Wikidata: Q27264189
• RXCUI: 1540826
• Mol file: 18312-32-8.mol

Synonyms:Behenyl erucate;Docosyl (Z)-docos-13-enoate;18312-32-8;UNII-681898L9A8;EINECS 242-201-8;13-Docosenoic acid, docosyl ester, (Z)-;681898L9A8;13-Docosenoic acid, docosyl ester, (13Z)-;Docosyl 13-docosenoate;SCHERCEMOL BE ESTER;Docosyl(Z)-docos-13-enoate;BEHENYL ERUCATE [INCI];SCHEMBL7545500;DTXSID101317061;13-Docosenoic acid, docosyl ester;C44H86O2;Docosyl (Z)- docos- 13- enoate;C44-H86-O2;Q27264189

Chemical Property of Behenyl erucate

Chemical Property:

• Vapor Pressure: 9.16E-18mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 669.1 °C at 760 mmHg
• Flash Point: 12.8 °C
• PSA: 26.30000
• Density: 0.86 g/cm³
• LogP: 15.94940
• XLogP3: 20.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 41
• Exact Mass: 646.66278198
• Heavy Atom Count: 46
• Complexity: 583

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C\CCCCCCCC