Isobutyl 9-(sulfooxy)stearate
2-methylpropyl 9-sulfooxyoctadecanoate
Also Known As: Isobutyl 9-(sulfooxy)stearate|2-methylpropyl 9-sulfooxyoctadecanoate|Octadecanoic acid, 9-(sulfooxy)-, 1-(2-methylpropyl) ester|1-(2-methylpropoxycarbonyl)-8-sulfooxy-heptadecane|9-(Sulfooxy)octadecanoic acid 1-(2-methylpropyl) ester|{[1-(2-methylpropoxy)-1-oxooctadecan-9-yl]oxy}sulfonic acid
CAS: 97403-96-8
| Molecular Formula | C22H44O6S |
|---|---|
| Molecular Weight | 436.28586 g/mol |
| LogP | 6.245 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 436.28586 |
| Monoisotopic Mass | 436.28586 |
| Heavy Atoms | 29 |
| Complexity | 489.53094 |
Chemical Identifiers
| CAS Number | 97403-96-8 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O |
Product Overview
Isobutyl 9-(sulfooxy)stearate (CAS 97403-96-8), with molecular formula C22H44O6S and molecular weight 436.28586 g/mol. IUPAC: 2-methylpropyl 9-sulfooxyoctadecanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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