chempirical

Calcium 2-ethylhexanoate

C16H30CaO4CAS 136-51-6326.49 g/mol

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

Properties

Molecular formula
C16H30CaO4
Molar mass
326.49 g/mol
Exact mass
326.1770 Da
logP
1.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

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
136-51-6
SMILES
CCCCC(CC)C([O-])=O.CCCCC(CC)C([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.

Names and synonyms

12 names
  • Hexanoic acid, 2-ethyl-, calcium salt (2:1)
  • Hexanoic acid, 2-ethyl-, calcium salt
  • Calcium 2-ethylhexoate
  • Octope ca
  • 2-Ethylhexanoic acid calcium salt
  • Calcium bis(2-ethyl hexanoate)
  • Calcium hex-cem
  • Nikka octhix calcium
  • NUSA Ca
  • Octa-soligen calcium 7HS
  • Nikka octhix ca 5%T
  • Alfa 36657

Work with Calcium 2-ethylhexanoate

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.

2-Ethylhexanoic acid149-57-5Free acid Tin(II) 2-ethylhexanoate301-10-0Salt Cobalt octoate136-52-7Salt Potassium 2-ethylhexanoate3164-85-0Salt Zinc 2-ethylhexanoate136-53-8Salt Chromium(III) 2-ethylhexanoate3444-17-5Salt Bis(2-ethylhexanoato-kappaO)hydroxyaluminum30745-55-2Salt Bismuth tris(2-ethylhexanoate)67874-71-9Salt Manganese bis(2-ethylhexanoate)13434-24-7Salt Copper(II) 2-ethylhexanoate149-11-1Salt Lead bis(2-ethylhexanoate)301-08-6Salt Sodium 2-ethylhexanoate19766-89-3Salt

Similar compounds

Butyltin tris(2-ethylhexanoate)23850-94-469 % similar 1,1′-(Dibutylstannylene) bis(2-ethylhexanoate)2781-10-469 % similar 2-Ethylhexanoyl chloride760-67-851 % similar Sodium valproate1069-66-550 % similar Rhodium(III) 2-ethylhexanoate20845-92-547 % similar Zirconium 2-ethylhexanoate22464-99-947 % similar Cyclohexane-1,4-diylbismethylene bis(2-ethylhexanoate)53148-32-646 % similar 2,2'-Ethylenedioxydiethyl bis(2-ethylhexanoate)94-28-045 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook