CAS 7414-45-1

2,6-Dimethyloctanoic acid

Description:

2,6-Dimethyloctanoic acid, with the CAS number 7414-45-1, is a branched-chain fatty acid characterized by its long hydrocarbon chain and two methyl groups located at the 2 and 6 positions of the octanoic acid backbone. This structure contributes to its unique physical and chemical properties. It is typically a colorless to pale yellow liquid or solid at room temperature, depending on its purity and specific conditions. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. 2,6-Dimethyloctanoic acid is soluble in organic solvents but has limited solubility in water due to its hydrophobic hydrocarbon chain. It is used in various applications, including as a building block in organic synthesis, in the production of surfactants, and potentially in the formulation of specialty chemicals. Its branched structure may also influence its melting point and boiling point compared to straight-chain fatty acids, making it of interest in both industrial and research contexts.

Formula: C₁₀H₂₀O₂

InChI: InChI=1S/C10H20O2/c1-4-8(2)6-5-7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)

InChI key: InChIKey=PTOMIMQFHPTADA-UHFFFAOYSA-N

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

Synonyms:

• Octanoic acid, 2,6-dimethyl-
• 2,6-Dimethyloctanoic acid