A quantum chemical topological method was used in this study to determine probable adsorption modes of propargyl alcohol at an iron surface. Based on the results, the most probable adsorption mode is one in which both carbon atoms forming triple bonds interact with the surface iron atom. Another important finding is that the adsorption seems to be possible only at a surface partially covered by adsorbed hydrogen. Chronoamperometric experiments were used to study current changes resulting from injection of inhibitor at different potentials. Results support the relation between the presence-pf adsorbed hydrogen and inhibitor sorption and indicate that adsorption of propargyl alcohol is reversible.