Isobutyl oleate

Base Information

• Chemical Name: Isobutyl oleate
• CAS No.: 90459-89-5
• Molecular Formula: C22H42O2
• Molecular Weight: 338.56768
• European Community (EC) Number: 233-022-6,291-736-3
• UNII: 4W9LEY6XW5
• DSSTox Substance ID: DTXSID9064899
• Nikkaji Number: J241.221G
• Wikidata: Q76327663
• Mol file: 90459-89-5.mol

Synonyms:Isobutyl oleate;10024-47-2;2-methylpropyl (Z)-octadec-9-enoate;9-Octadecenoic acid (9Z)-, 2-methylpropyl ester;EINECS 233-022-6;Oleic acid, isobutyl ester;Olsaureisobutylester;9-Octadecenoic acid (Z)-, 2-methylpropyl ester;9-Octadecenoic acid, 2-methylpropyl ester, (Z)-;Oleic acid isobutyl ester;SCHEMBL332985;DTXSID9064899;EINECS 291-736-3;90459-89-5

Chemical Property of Isobutyl oleate

Chemical Property:

• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 338.318480578
• Heavy Atom Count: 24
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C