9-(Sulphooxy)octadecanoic acid
Basic information
- CAS
102-72-7- Standard SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O- InChIKey
FISKBOUWERTLRE-UHFFFAOYSA-N- Molecular formula
- C18H36O6S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.22326004
Overview
See also: 9(or 10)-(Sulfooxy)octadecanoic acid (annotation moved to).
Names & identifiers
- Preferred name
- 9-(Sulphooxy)octadecanoic acid
- IUPAC
- 9-sulfooxyoctadecanoic acid
- English name
- 9-(sulphooxy)octadecanoic acid
- Molecular formula
- C18H36O6S
- Molecular weight
- 380.53984
Names & synonyms
9-(Sulphooxy)octadecanoic acid102-72-7Oleic acid, sulfated, sodium saltOctadecanoic acid, 9-(sulfooxy)-9(or 10)-(Sulfooxy)stearic acidSodium 9-(sulfooxy)stearate9-(sulfooxy)octadecanoic acidOleic acid, sulfated, ammonium salt68413-72-968735-97-768170-59-29-sulfooxyoctadecanoic acid
Show more names
Octadecanoic acid, 9-(sulfooxy)-, sodium salt9(or 10)-(Sulfooxy)stearic acid ammonium saltSodium 9-(sulphooxy)octadecanoateEINECS 203-050-3EINECS 269-018-6EINECS 270-245-8EINECS 272-111-49(Or 10)-(sulphooxy)octadecanoic acid
Database identifiers
- CAS
102-72-7、68170-59-2、68413-72-9、68735-97-7- PubChem CID
- 101574
- DTXSID
DTXSID50860893- EC Number
- 203-050-3、269-018-6、270-245-8、272-111-4
- Nikkaji
- J182.160A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- EPA Substance Registry System
- 9 · Octadecanoic acid, 9-(sulfooxy)- (102-72-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, 9-(sulfooxy)-
Chemical: Octadecanoic acid, 9(or 10)-(sulfooxy)-
Chemical: Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt
Chemical: Octadecanoic acid, 9-(sulfooxy)-, sodium salt
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Octadecanoic acid, 9-(sulfooxy)-: INACTIVE
Octadecanoic acid, 9(or 10)-(sulfooxy)-: INACTIVE
Octadecanoic acid, 9-(sulfooxy)-, sodium salt (1:?): INACTIVE
Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?): ACTIVE
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Compound notes
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