Sodium butyrate

C4H7NaO2CAS 156-54-7110.09 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C4H7NaO2
Molar mass
110.09 g/mol
Exact mass
110.0344 Da
Melting point
251 °C
logP
0.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
156-54-7
SMILES
CCCC([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.

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Names and synonyms

9 names
  • Butanoic acid, sodium salt (1:1)
  • Butyric acid, sodium salt
  • Butanoic acid, sodium salt
  • Sodium butanoate
  • Butyrate sodium
  • Sodium n-butyrate
  • Sodium propanecarboxylate
  • Gustor XXI B 70
  • Adimix

Work with Sodium butyrate

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.

Butyric acid107-92-6Free acid Calcium butyrate5743-36-2Salt

Similar compounds

Sodium valerate6106-41-875 % similar Sodium hexanoate10051-44-272 % similar Sodium caprate1002-62-669 % similar Sodium octanoate1984-06-169 % similar Sodium palmitate408-35-569 % similar Sodium laurate629-25-469 % similar Sodium myristate822-12-869 % similar Sodium stearate822-16-269 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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