Butyl oleate sulfate

Base Information

• Chemical Name: Butyl oleate sulfate
• CAS No.: 38621-44-2
• Molecular Formula: C22H42O6S
• Molecular Weight: 434.6303
• European Community (EC) Number: 254-044-2
• DSSTox Substance ID: DTXSID401014957
• Wikidata: Q76327391
• Metabolomics Workbench ID: 47796
• Mol file: 38621-44-2.mol

Synonyms:Butyl oleate sulfate;Sulfated butyl oleate;1-Butyl (sulphooxy)-9-octadecenoate;Butyl oleate, sulfated;1-Butyl (sulfooxy)oleate;1-Butyl (sulfooxy)-9-octadecenoate;(Sulfooxy)-9-octadecenoic acid, 1-butyl ester;9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester;EINECS 254-044-2;38621-44-2;C22H42O6S;CHEBI:175511;DTXSID401014957;1-Butyl(sulfooxy)-9-octadecenoate;C22-H42-O6-S;butyl (E)-18-sulooxyoctadec-9-enoate;Butyl (sulfooxy)-9-octadecenoate, 9CI;{[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulfonic acid

Chemical Property of Butyl oleate sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 98.28000
• Density: 1.05g/cm³
• LogP: 7.24750
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 22
• Exact Mass: 434.27021023
• Heavy Atom Count: 29
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCCCCCCC=CCCCCCCCCOS(=O)(=O)O
• Isomeric SMILES: CCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O

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