Einecs 231-946-4

Base Information

• Chemical Name: Einecs 231-946-4
• CAS No.: 7779-99-9
• Deprecated CAS: 12262-67-8
• Molecular Formula: C22H44O6S
• Molecular Weight: 436.6462
• European Community (EC) Number: 231-946-4
• Mol file: 7779-99-9.mol

Synonyms:Isobutyl oleate, compound with sulphuric acid;EINECS 231-946-4;C22H42O2.xH2O4S;ISOBUTYL OLEATE, SULFATED;Oleic acid, isobutyl ester, sulfate;C22-H42-O2.x-H2-O4-S;7779-99-9;SCHEMBL7694148

Chemical Property of Einecs 231-946-4

Chemical Property:

• Vapor Pressure: 5.69E-07mmHg at 25°C
• Boiling Point: 411.2°Cat760mmHg
• Flash Point: 87.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 18
• Exact Mass: 436.28586029
• Heavy Atom Count: 29
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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