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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
sodium octane-1-sulfonate hydrate

Inventory

EC number:
226-195-4
EC name:
Sodium octane-1-sulphonate monohydrate
CAS number:
5324-84-5
CAS number:
5324-84-5
Synonyms
Names:
1-Octanesulfonic acid, sodium salt
Identifier:
IUPAC name
1-Octanesulfonic acid, sodium salt
Identifier:
IUPAC name
sodium octane-1-sulfonate
Identifier:
other: Molecular formula
C8H17NaO3S
Identifier:
other: SMILES notation
CCCCCCCCS([O-])(=O)=O.[Na+]
Identifier:
other: InChl
InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
Identifier:
other: SMILES notation
[Na+].O=S(=O)([O-])CCCCCCCC

Molecular and structural information

Molecular formula:
C8H18O3S.Na
Molecular weight:
234.289
SMILES notation:
O.[Na+].CCCCCCCCS(=O)(=O)[O-]
InChl:
InChI=1/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1
Structural formula:
Chemical structure

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