chempirical

Calcium butyrate

C8H14CaO4CAS 5743-36-2214.27 g/mol

Open in Covalent MOL file
O−OO−OCa2+
Carboxylic acid

Properties

Molecular formula
C8H14CaO4
Molar mass
214.27 g/mol
Exact mass
214.0518 Da
Density
1.3 g/mL
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. Search the SDS library

Identifiers

CAS number
5743-36-2
SMILES
CCCC([O-])=O.CCCC([O-])=O.[Ca+2]
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 and density.

Names and synonyms

4 names
  • Butanoic acid, calcium salt (2:1)
  • Butyric acid, calcium salt
  • Butanoic acid, calcium salt
  • Greencab 70 coated

Work with Calcium 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 Sodium butyrate156-54-7Salt

Similar compounds

Calcium stearate1592-23-069 % similar Calcium propanoate4075-81-458 % similar Calcium levulinate591-64-056 % similar Sodium valerate6106-41-856 % similar Sodium hexanoate10051-44-254 % similar Sodium caprate1002-62-652 % similar Manganese stearate1002-88-652 % similar Potassium laurate10124-65-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook