Oleyl erucate

Base Information

• Chemical Name: Oleyl erucate
• CAS No.: 17673-56-2
• Molecular Formula: C40H76O2
• Molecular Weight: 589.03024
• European Community (EC) Number: 241-654-9
• UNII: 753W099NQ6
• DSSTox Substance ID: DTXSID701317714
• Nikkaji Number: J287.113K
• Wikidata: Q27266332
• RXCUI: 1432298
• Mol file: 17673-56-2.mol

Synonyms:Oleyl erucate;17673-56-2;(Z)-Octadec-9-enyl (Z)-docos-13-enoate;143485-69-2;[(Z)-octadec-9-enyl] (Z)-docos-13-enoate;13-Docosenoic acid, 9-octadecenyl ester;UNII-753W099NQ6;EINECS 241-654-9;753W099NQ6;EC 241-654-9;13-Docosenoic acid, 9-octadecenyl ester, (Z,Z)-;13-Docosenoic acid, (9Z)-9-octadecenyl ester, (13Z)-;Erucic acid, oleyl ester;TEGOSOFT OER;PELEMOL OE;AEC OLEYL ERUCATE;DYNACERIN 660;CETIOL J 600;OLEYL ERUCATE [INCI];9-Octadecenyl 13-docosenoate;SCHEMBL1617750;DTXSID701317714;C40H76O2;C40-H76-O2;(Z)-Octadec-9-enyl(Z)-docos-13-enoate;13-Docosenoic acid, 9-octadecen-1-yl ester;(Z)- octadec- 9- enyl (Z)- docos- 13- enoate;9-OCTADECEN-1-OL, 13-DOCOSENOATE, (Z)-;W-110463;Q27266332;13-DOCOSENOIC ACID, (9Z)-9-OCTADECEN-1-YL ESTER, (13Z)-

Chemical Property of Oleyl erucate

Chemical Property:

• Vapor Pressure: 3.68E-16mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 637.7 °C at 760 mmHg
• Flash Point: 39.3 °C
• PSA: 26.30000
• Density: 0.866 g/cm³
• LogP: 14.16500
• XLogP3: 17.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 36
• Exact Mass: 588.58453166
• Heavy Atom Count: 42
• Complexity: 564

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC