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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6435867Generated: October 23, 2026

9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester

sulfated butyl oleate · butyl oleate sulfate · butyl oleate, sulfated · 1-Butyl (sulfooxy)-9-octadecenoate · 1-butyl (sulphooxy)-9-octadecenoate

https://huagongshe.com/en/chemical/6435867

9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester molecular structure

Identifiers & Physical Properties

CAS No.2734117-86-1
Molecular formulaC22H42O6S
Average molar mass434.6 g/mol
Monoisotopic mass434.27021006 g/mol
SMILESCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O
InChIKeyDCFGGGCMICWSJX-SNAWJCMRSA-N
PubChem CID6435867
ChEBICHEBI:175511
EC No.254-044-2
DTXSIDDTXSID401014957

Chemical & Physical Properties

XLogP6.9
Topological polar surface area98.3
Hydrogen bond donors1
Hydrogen bond acceptors6
Rotatable bonds22
Heavy atoms29
Formal charge0
Complexity496
LogP (partition coefficient)8.017 (est)
Substances Added to Food (formerly EAFUS)BUTYL OLEATE SULFATE
FDA 21 CFR177.2800
EPA Substance Registry System9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester (38621-44-2)
TSCA inventory statusTSCA listed

Safety & Regulations

GHS classificationNot Classified
Regulatory informationChemical: 9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester
Hazard Classes and CategoriesNot Classified
TSCA inventory statusTSCA listed