m-Toluic acid
m-Toluic acid (CAS No.: 99-04-7) is a benzoic acid derivative widely utilized as a versatile intermediate and building block in biochemical research and medicinal chemistry, particularly in the synthesis of structurally diverse small molecules for drug discovery and agrochemical development. As a weakly acidic aromatic carboxylic compound, it readily undergoes functionalization reactions to generate amides, esters, and acyl derivatives, enabling the systematic exploration of structure–activity relationships and molecular interactions in biologically relevant systems. Although it is not associated with a single defined biological target, m-toluic acid and its derivatives are frequently employed in studies investigating aromatic acid metabolism, enzyme-catalyzed transformations, and ligand–protein binding mechanisms, thereby contributing to the elucidation of biochemical pathways and enzymatic specificity. In vitro applications commonly involve its use as a synthetic precursor or reference scaffold in assays evaluating enzyme activity or compound libraries, where observed effects of derived molecules typically fall within the nanomolar to micromolar range depending on structural modifications. Additionally, it serves as a precursor in the preparation of compounds such as insect repellents, highlighting its importance in applied chemical biology contexts. Experimental usage in cell-based or enzymatic systems varies according to study design, with concentrations tailored to specific research objectives in chemical biology, pharmacology, and metabolic studies.
| Physical Appearance | A solid |
| Storage | -20°C |
| M.Wt | 136.15 |
| Cas No. | 99-04-7 |
| Formula | C8H8O2 |
| Solubility | insoluble in H2O; ≥39.4 mg/mL in EtOH; ≥43.5 mg/mL in DMSO |
| Chemical Name | 3-methylbenzoic acid |
| Canonical SMILES | CC1=CC=CC(C(O)=O)=C1 |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |







