Nine odorant compounds were selected and categorized into five major classes based on their olfactory characteristics: sweet, sour, fruity, floral, and green. The σ-τ graph method was employed to systematically analyze the interactions among odorants of different olfactory classes, exploring masking, synergistic, and additive effects. Results were found that there was a significant additive effect between odorants of the sweet and floral notes, while a pronounced masking effect was observed between those of the fruity and green notes. Molecular docking techniques revealed the interactions between odorants and specific amino acid residues on the OR1D2 receptor through hydrogen bonding and hydrophobic interactions, effectively activating the olfactory receptors and enabling odor perception. The findings elucidate the synergistic mechanisms of volatile aromatic substances, establishing a theoretical foundation for refining fragrance blends and advancing sensory performance in flavor systems.