Basic information
- CAS
29454-23-7- Standard SMILES
CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O- InChIKey
ZABKDTYOFYRFCI-UHFFFAOYSA-N- Molecular formula
- C15H30O5S
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.18139523
Names & identifiers
- Preferred name
- Tetradecanoic acid, 2-sulfo-, 1-methyl ester
- IUPAC
- 1-methoxy-1-oxotetradecane-2-sulfonic acid
- English name
- 1-methyl hydrogen 2-sulphonatotetradecanoate
- Molecular formula
- C15H30O5S
- Molecular weight
- 322.46
Names & synonyms
Methyl 2-sulfomyristateMethyl myristate alpha-sulfonic acidTetradecanoic acid, 2-sulfo-, 1-methyl ester29454-23-7EINECS 249-640-4DTXSID00885450RefChem:896918DTXCID1010248301-methoxy-1-oxotetradecane-2-sulfonic acidmethyl a-sulfomyristate1-Methyl hydrogen 2-sulphonatotetradecanoateSCHEMBL8028639
Show more names
2-Sulfotetradecanoic acid 1-methyl ester1-Methylhydrogen-2-sulfonatotetradecanoat1-Methoxycarbonyl-1-tridecanesulfonic acid
ZABKDTYOFYRFCI-UHFFFAOYSA-NNS00049725
Database identifiers
- CAS
29454-23-7- PubChem CID
- 19924
- DTXSID
DTXSID00885450- EC Number
- 249-640-4
- Nikkaji
- J23.358G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- EPA Substance Registry System
- 2 · Methyl 2-sulfomyristate (29454-23-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTetradecanoic acid, 2-sulfo-, 1-methyl ester: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…