Basic information
- CAS
64131-25-5- Standard SMILES
CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O- InChIKey
SUGCWLAORFBCKS-UHFFFAOYSA-N- Molecular formula
- C13H26O5S
- Average molar mass
- 294.41 g/mol
- Monoisotopic mass
- 294.1500951
Names & identifiers
- Preferred name
- Methyl laurate-2-sulfonic acid
- IUPAC
- 1-methoxy-1-oxododecane-2-sulfonic acid
- English name
- 1-methyl 2-sulphododecanoate
- Molecular formula
- C13H26O5S
- Molecular weight
- 294.41
Names & synonyms
Methyl laurate-2-sulfonic acid1-Methyl 2-sulfolaurate64131-25-5Dodecanoic acid, 2-sulfo-, 1-methyl ester5SRU3KIT3JMethyl laurate alpha-sulfonic acidEINECS 264-692-8METHYL 2-SULFOLAURATEDTXSID90863303RefChem:817829DTXCID708119431-Methyl 2-sulphododecanoate
Show more names
1-Methyl-2-sulfododecanoat
1-methoxy-1-oxododecane-2-sulfonic acidUNII-5SRU3KIT3Ja-sulfo methyl laurateSCHEMBL7853583SUGCWLAORFBCKS-UHFFFAOYSA-NDB-216150NS00014075Q27262819
Database identifiers
- CAS
64131-25-5- PubChem CID
- 19922
- DTXSID
DTXSID90863303- UNII
- 5SRU3KIT3J
- EC Number
- 264-692-8
- Nikkaji
- J23.356K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- FDA UNII
- 5 SRU3KIT3J · 5SRU3KIT3J
- EPA Substance Registry System
- 1 · 1-Methyl 2-sulfolaurate (64131-25-5)
- 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 InformationDodecanoic acid, 2-sulfo-, 1-methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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