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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
sodium 2-hydroxy-2-methyl-3-oxoicosanoate

Inventory

EC number:
246-929-7
EC name:
Sodium 2-stearoyllactate
CAS number:
25383-99-7
CAS number:
25383-99-7
Synonyms
Names:
Octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, sodium salt
Identifier:
IUPAC name
sodium 2-(2-octadecanoyloxypropanoyloxy)propanoate
Identifier:
IUPAC name
sodium 2-hydroxy-2-methyl-3-oxoicosanoate
Identifier:
E number
E 481
Identifier:
other: Molecular formula
C24H44O6.Na
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]
Identifier:
other: InChl
InChI=1/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;/h25H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1
Identifier:
other: SMILES notation
[Na+].CCCCCCCCCCCCCCCCCC(=O)C(C)(O)C(=O)[O-]
Esterification product of C16-C18 even numbered, saturated fatty acids and lactic acid, sodium salt

Molecular and structural information

Molecular formula:
This reference substance is a UVCB of the NCS type. It is a complex mixture of compounds and therefore molecular formula, molecular weight, SMILES, InChI and structural formula cannot be given.
Molecular weight:
378.522
SMILES notation:
This reference substance is a UVCB of the NCS type. It is a complex mixture of compounds and therefore molecular formula, molecular weight, SMILES, InChI and structural formula cannot be given.
InChl:
This reference substance is a UVCB of the NCS type. It is a complex mixture of compounds and therefore molecular formula, molecular weight, SMILES, InChI and structural formula cannot be given.
Structural formula:
Chemical structure

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