AbstractImproving food preservation technologies is a key aspect in the struggle to reduce global food waste, and natural antimicrobial substances, such as essential oil (EO) components represent very promising food preserving agent. However, their intrinsic chemico‐physical properties, such as the low melting point, low water solubility and high volatility, pose some practical difficulties in exploiting them for practical applications. Cocrystallization is used to stabilize liquid or volatile EO components providing them whit a crystalline environment, thus improving their potential application as antibacterial agents. Five EO active ingredients (THY = thymol, CAR = carvacrol, EUG = eugenol, CAD = trans‐cinnamaldehyde, and VAN = o‐vanillin) and two coformers (INA = Isonicotinamide, and HBA = 4‐hydroxybenzoic acid) have been combined and the corresponding cocrystals have been studied for their potential inhibiting effect against four food spoilage bacteria (Bacillus thuringiensis, Enterobacter cloacae, Pseudomonas fluorescens, and Serratia marcescens). The structures of the five cocrystals have been used to derive structure‐activity relationships in terms of release energy of the active ingredients form the crystalline environment, and a correlation has been derived with the Intermolecular Interaction Energies of the EO molecules.