CAS 1185-29-1

2-Ethyl-2-methylhexanoic acid

Description:

2-Ethyl-2-methylhexanoic acid, with the CAS number 1185-29-1, is a branched-chain carboxylic acid characterized by its unique structure, which includes a six-carbon backbone with both ethyl and methyl substituents on the second carbon. This compound is typically a colorless to pale yellow liquid with a characteristic odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The acid exhibits moderate acidity, with a pKa that allows it to participate in various chemical reactions, including esterification and neutralization. It is often used as a chemical intermediate in the production of various esters, surfactants, and as a stabilizer in plastics and coatings. Additionally, 2-ethyl-2-methylhexanoic acid is known for its ability to chelate metal ions, making it useful in applications involving metal extraction and stabilization. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes.

Formula: C₉H₁₈O₂

InChI: InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)

InChI key: InChIKey=LYIMSMCQBKXQDK-UHFFFAOYSA-N

SMILES: C(C(O)=O)(CCCC)(CC)C

Synonyms:

• α-Ethyl-α-methylcaproic acid
• Hexanoic acid, 2-ethyl-2-methyl-
• 2-Methyl-2-ethylhexanoic acid
• 2-Ethyl-2-methylhexanoic acid
• 2-Ethyl-2-methylcaproic acid