Basic information
- CAS
3076-26-4- Standard SMILES
CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O- InChIKey
NRCIPQBRBAFTIA-UHFFFAOYSA-N- Molecular formula
- C19H38O5S
- Average molar mass
- 378.6 g/mol
- Monoisotopic mass
- 378.24399548
Names & identifiers
- Preferred name
- Octadecanoic acid, 2-sulfo-, 1-methyl ester
- IUPAC
- 1-methoxy-1-oxooctadecane-2-sulfonic acid
- English name
- 1-methyl 2-sulphooctadecanoate
- Molecular formula
- C19H38O5S
- Molecular weight
- 378.57
Names & synonyms
Methyl 2-sulfostearateOctadecanoic acid, 2-sulfo-, 1-methyl esterMethyl stearate alpha-sulfonic acidEINECS 221-354-4NSC 179468DTXSID10883942RefChem:855646DTXCID8010234193076-26-41-Methyl 2-sulphooctadecanoateMethyl .alpha.-sulfostearateNSC179468
Show more names
1-Methyl-2-sulfooctadecanoat2-Sulfooctadecanoic acid 1-methyl ester1-Methoxycarbonyl-1-heptadecanesulfonic acid
Methyl stearate .alpha.-sulfonic acidMethyl alpha-sulfostearate1-methoxy-1-oxooctadecane-2-sulfonic acidmethyl a-sulfostearateSCHEMBL8012303NRCIPQBRBAFTIA-UHFFFAOYSA-NOctadecanoic acid, 1-methyl esterNSC-179468
Database identifiers
- CAS
3076-26-4- PubChem CID
- 18317
- DTXSID
DTXSID10883942- EC Number
- 221-354-4
- Nikkaji
- J23.361G
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- EPA Substance Registry System
- 2 · Methyl 2-sulfostearate (3076-26-4)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 2-sulfo-, 1-methyl ester: INACTIVE
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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