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(1) Background: Amino acids and carbohydrates are widely used as additives in the food industry. These compounds have been proven to be an influencing factor in the production of chemical carcinogenic compounds polycyclic aromatic hydrocarbons (PAHs). However, the effect of the properties of the amino acids and carbohydrates on the production of PAHs is still little known. (2) Methods: We added different (i) R groups (the R group represents an aldehyde group in a glucose molecule or a ketone group in a fructose molecule); (ii) molecular weight carbohydrates; (iii) polarities, and (iv) acid-base amino acids to pork sausages. The effects of the molecular properties of carbohydrates and amino acids on the formation of PAHs in grilled pork sausages were investigated. (3) Results: The results showed that a grilled sausage with aldehyde-based <span style="font-variant: small-caps;">d</span>-glucose was capable of producing more PAHs than a sausage with keto-based <span style="font-variant: small-caps;">d</span>-fructose. A higher PAH content was determined in the grilled pork sausage when the smaller molecular weight, <span style="font-variant: small-caps;">d</span>-glucose, was added compared with the sausage where the larger molecular weight, 4-(&#945;-<span style="font-variant: small-caps;">d</span>-glucosido)-<span style="font-variant: small-caps;">d</span>-glucose and cellulose were added. The addition of basic amino acids (<span style="font-variant: small-caps;">l</span>-lysine, <span style="font-variant: small-caps;">l</span>-arginine) was capable of producing more PAHs compared with the addition of acidic amino acids (<span style="font-variant: small-caps;">l</span>-glutamic acid, <span style="font-variant: small-caps;">l</span>-aspartate). When amino acid containing a benzene ring was added, a smaller volume of PAHs was produced compared with the addition of other amino acids. (4) Conclusions: Our study suggests that systematic consideration of molecule properties is necessary when using food additives (amino acids and carbohydrates) for food processing.