Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde

-cresol were determined. Moreover, in this situation, the benzyl radical is predicted to produce benzyl alcohol, as was found in some experiments. The commonly accepted route to benzaldehyde was found to be not the energetically favored one. Instead, a route leading to the benzoyl radical (and ultimately to benzoic acid) with the participation of one water molecule was clearly more favorable, both thermodynamically and kinetically.