CAS 86994-27-6

Butanoic acid, 4,4,4-trifluoro-, 1-methylethyl ester

Description:

Butanoic acid, 4,4,4-trifluoro-, 1-methylethyl ester, also known by its CAS number 86994-27-6, is an organic compound characterized by its ester functional group derived from butanoic acid and 1-methylethyl alcohol (isobutanol). This compound features a butanoic acid backbone with three fluorine atoms attached to the fourth carbon, significantly influencing its chemical properties, such as increased lipophilicity and altered reactivity. The presence of trifluoromethyl groups typically enhances the compound's stability and can affect its boiling and melting points, making it useful in various applications, including pharmaceuticals and agrochemicals. The ester linkage contributes to its volatility and solubility in organic solvents, while the trifluoromethyl group may impart unique biological activity. As with many fluorinated compounds, it is essential to consider environmental and health impacts, as fluorinated substances can exhibit persistence in the environment. Overall, this compound exemplifies the diverse chemistry of fluorinated esters and their potential utility in various fields.

Formula: C₇H₁₁F₃O₂

InChI: InChI=1/C7H11F3O2/c1-5(2)12-6(11)3-4-7(8,9)10/h5H,3-4H2,1-2H3

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

Synonyms:

• Isopropyl 4,4,4-trifluorobutanoate