Sodium octanoate

C8H15NaO2CAS 1984-06-1166.20 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C8H15NaO2
Molar mass
166.20 g/mol
Exact mass
166.0970 Da
Melting point
243–245 °C
logP
2.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1984-06-1
SMILES
CCCCCCCC([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

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Names and synonyms

6 names
  • Octanoic acid, sodium salt (1:1)
  • Octanoic acid, sodium salt
  • Sodium caprylate
  • Caprylic acid sodium salt
  • Sodium n-octanoate
  • Sodium octoate

Work with Sodium octanoate

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.

Caprylic acid124-07-2Free acid Zinc octanoate557-09-5Salt Potassium octanoate764-71-6Salt

Similar compounds

Sodium caprate1002-62-6100 % similar Sodium palmitate408-35-5100 % similar Sodium laurate629-25-4100 % similar Sodium myristate822-12-8100 % similar Sodium stearate822-16-2100 % similar Sodium hexanoate10051-44-296 % similar Sodium valerate6106-41-884 % similar Sodium oleate143-19-180 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium valproate1069-66-5 Sodium 2-ethylhexanoate19766-89-3 Divalproex sodium76584-70-8

Elsewhere

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