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Merck
CN

511692

Sodium 2-ethylhexanoate

97%

Synonym(s):

2-Ethylcaproic acid sodium salt, Sodium-2-ethylcaproate

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About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CO2Na
CAS Number:
Molecular Weight:
166.19
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12352103
EC Number:
243-283-8
MDL number:
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Product Name

Sodium 2-ethylhexanoate, 97%

InChI key

VYPDUQYOLCLEGS-UHFFFAOYSA-M

InChI

1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1

SMILES string

[Na+].CCCCC(CC)C([O-])=O

assay

97%

form

powder, crystals or chunks

reaction suitability

core: sodium

mp

>300 °C (lit.)

Quality Level

Application

Sodium 2-ethylhexanoate can be used as:
  • A polymer stabilizer and crosslinking agent in the stabilization of polymers and as a crosslinking agent in the manufacture of coatings and adhesives, enhancing durability and performance.
  • A catalyst precursor in the synthesis of metal 2-ethylhexanoates, such as cerium(III) 2-ethylhexanoate, which are used as homogeneous catalysts to improve combustion efficiency in fuels like LPG.
  • A salt-forming agent in the production of pharmaceutical compounds, including antibiotics like sulbactam sodium and cefuroxime sodium.
  • An energy-saving additive in fuels, contributing to improved combustion and reduced emissions.

General description

Sodium 2-ethylhexanoate is a white to off-white hygroscopic crystalline powder with the chemical formula C₈H₁₅NaO₂. It is the sodium salt of 2-ethylhexanoic acid and is highly soluble in water and various organic solvents such as methanol and ethanol. This compound is widely utilized as a chemical intermediate in the synthesis of metal 2-ethylhexanoates, which serve as catalysts, stabilizers, and additives in diverse industrial applications. Its roles span across the pharmaceutical, polymer, coatings, and fuel industries, owing to its effectiveness as a salt-forming agent, acid scavenger, and catalyst precursor.

pictograms

Health hazard

signalword

Danger

hcodes

Hazard Classifications

Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Fabrizio Carta et al.
Bioorganic & medicinal chemistry letters, 21(8), 2521-2526 (2011-03-16)
The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic carboxylates has been investigated. Human isoforms hCA I and II were

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