Sodium 2-ethylhexanoate

C8H15NaO2CAS 19766-89-3166.20 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
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.

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Identifiers

CAS number
19766-89-3
SMILES
CCCCC(CC)C([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

5 names
  • Hexanoic acid, 2-ethyl-, sodium salt (1:1)
  • Hexanoic acid, 2-ethyl-, sodium salt
  • 2-Ethylcaproic acid sodium salt
  • Sodium 2-ethylcaproate
  • 2-Ethylhexanoic acid sodium salt

Work with Sodium 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 Calcium 2-ethylhexanoate136-51-6Salt Manganese bis(2-ethylhexanoate)13434-24-7Salt Copper(II) 2-ethylhexanoate149-11-1Salt Lead bis(2-ethylhexanoate)301-08-6Salt

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 α-hydroxybutyrate5094-24-649 % 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

Same formula

Sodium valproate1069-66-5 Sodium octanoate1984-06-1 Divalproex sodium76584-70-8

Elsewhere

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