CAS： 499-06-9
MF： C9H10O2
Appearance： white to light yellow crystalline powder
| Description | 3,5-Dimethylbenzoic acid is an organic compound widely used as a chemical intermediate in the synthesis of pharmaceuticals, dyes, and agrochemicals. Its structure, with methyl groups positioned at the 3 and 5 locations on the aromatic ring, allows it to act as a versatile starting material for creating complex molecules with specific properties. |
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Purification Methods |
Distil the acid in steam, crystallise it from H2O (m 171.2-171.7o) or EtOH, and sublime it in vacuo.[Beilstein 9 H 536, 9 III 244, 9 IV 1806.] |
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Definition |
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5. |
| Uses | In pharmaceutical applications, derivatives of 3,5-dimethylbenzoic acid are valuable for producing anti-inflammatory and antimicrobial agents. It also finds use in dye production due to its aromatic nature. Additionally, in microbiology, 3,5-dimethylbenzoic acid can be used as a carbon and energy source to investigate the metabolic abilities of certain bacteria, such as Pseudomonas species. |
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InChI:InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
The possibility of evaluating occupational exposure to mesitylene based on the determination of unchanged solvent in capillary blood or 3,5-dimethylbenzoic acid in urine was investigated. The highest correlation coefficient value was obtained for the relationship between the absorbed dose of mesitylene and the excretion rate of 3,5-dimethylbenzoic acid in urine (r = 0.95).
The molecular structure of 3,5-dimethylbenzoic acid has been accurately determined by X-ray crystallography. The crystals are monoclinic, space group P 2,/n, with a = 8.165(2), b = 6.992(1), c = 14.422(2) Ä, ß = 93.21(2)°, Z = 4. The structure has been refined by full-matrix least-squares techniques to R = 0.0415 on 1662 counter intensities.
