Basic information
- CAS
53422-16-5- Standard SMILES
CCCCCCC([O-])CCCCCCCCCCC(=O)OC.[Li+]- InChIKey
SLYRBTOYHKVOCK-UHFFFAOYSA-N- Molecular formula
- C19H37LiO3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.29027347
Names & identifiers
- Preferred name
- Lithium methyl 12-hydroxystearate
- IUPAC
- lithium 18-methoxy-18-oxooctadecan-7-olate
- English name
- lithium methyl 12-oxidooctadecanoate
- Molecular formula
- C19H39LiO3
- Molecular weight
- 322.46
Names & synonyms
Lithium methyl 12-hydroxystearate53422-16-5Methyl 12-hydroxystearate lithium saltUNII-IY5IA7W5G1EINECS 258-547-8IY5IA7W5G1Octadecanoic acid, 12-hydroxy-, methyl ester, lithium saltMethyl 12-hydroxystearate, lithium saltMethyl 12-hydroxy stearate, lithium saltOctadecanoic acid, 12-hydroxy, methyl ester, lithium saltDTXSID0028032RefChem:153738
Show more names
12-Lithiooxyoctadecanoic acid methyl esterMETHYL 12-HYDROXYOCTADECANOATE, LITHIUM SALT
DTXCID508032258-547-8Lithium methyl 12-oxidooctadecanoateOctadecanoic acid, 12-hydroxy-, methyl ester, lithium salt (1:1)lithium 18-methoxy-18-oxooctadecan-7-olateSLYRBTOYHKVOCK-UHFFFAOYSA-NDB-255089NS00059975
Database identifiers
- CAS
53422-16-5- PubChem CID
- 23677331
- DTXSID
DTXSID0028032- UNII
- IY5IA7W5G1
- EC Number
- 258-547-8
Properties
Computed structural properties
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- FDA UNII
- 5 IA7W5G1 · IY5IA7W5G1
- EPA Substance Registry System
- 12 · Methyl 12-hydroxystearate lithium salt (53422-16-5)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, 12-hydroxy-, methyl ester, lithium salt
Octadecanoic acid, 12-hydroxy-, methyl ester, lithium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Octadecanoic acid, 12-hydroxy-, methyl ester, lithium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 12-hydroxy-, methyl ester, lithium salt (1:1): ACTIVE
Suppliers2 total
上海巍涛化工有限公司02150630626 17717886015 · [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
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