Sodium octanesulfonate

C₈H₁₇NaO₃SCAS 5324-84-5216.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₇NaO₃S
Molar mass: 216.27 g/mol
Exact mass: 216.0796 Da
logP: 1.85Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation93.1% of notifiers
H319 Causes serious eye irritation93.3% of notifiers
H335 May cause respiratory irritation68.2% of notifiers

Aggregated from 685 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5324-84-5

SMILES

CCCCCCCCS([O-])(=O)=O.[Na+]

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

1-Octanesulfonic acid, sodium salt (1:1)
1-Octanesulfonic acid, sodium salt
Sodium octylsulfonate
Sodium 1-octanesulfonate
Sodium n-octylsulfonate
Bio-terge PAS 8SF
NAS 8RF
Sodium n-octanesulfonate
Bio-terge PAS 8
Witconate NAS-FAL
NAS-FAL
Sodium caprylyl sulfonate

Work with Sodium octanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium Octane-1-sulfonate Hydrate207596-29-0Hydrate 1-Octanesulfonic acid3944-72-7Free acid

Similar compounds

Sodium decanesulfonate13419-61-9100 % similar Sodium hexadecylsulfonate15015-81-3100 % similar Sodium heptanesulfonate22767-50-6100 % similar Sodium dodecylsulfonate2386-53-0100 % similar Sodium hexanesulfonate2832-45-3100 % similar Sodium 1-nonanesulfonate35192-74-6100 % similar 1-Tridecanesulfonic acid sodium salt5802-89-1100 % similar Sodium 1-undecanesulfonate5838-34-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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