[6] Its structure was initially unclear, with some chemists believing it corresponds to butyric acid, but theoretical considerations indicated that normal butanol should have a higher boiling point, and in 1867 Emil Erlenmeyer and independently Vladimir Markovnikov determined its actual structure by proving its oxidation product to be isobutyric acid.

Two methods are practiced industrially, hydroformylation is more common and generates a mixture of isobutyraldehyde and butyraldehyde: The reaction is catalyzed by cobalt or rhodium complexes.

[9] E. coli as well as several other organisms has been genetically modified to produce C4 alcohols from glucose, including isobutanol, 1-butanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-phenylethanol.

The host's highly active amino acid biosynthetic pathway is shifted to alcohol production.

α-Ketoisovalerate, derived from valine, is prone to decarboxylation to give isobutyraldehyde, which is susceptible to reduction to the alcohol:[10] The uses of isobutanol and 1-Butanol are similar.