Description

3,4-Dimethylbenzoic Acid (CAS No. 619-04-5) is a high-purity organic compound with the molecular formula C₉H₁₀O₂. This white to off-white crystalline solid is a derivative of benzoic acid, featuring methyl substituents at the 3 and 4 positions of the aromatic ring. With a molecular weight of 150.18 g/mol, it is widely utilized in pharmaceutical synthesis, agrochemical research, and material science applications. Our product is rigorously tested for purity (≥98% by HPLC) and is supplied in sealed containers to ensure stability and longevity. Ideal for use as a building block in organic synthesis, ligand design, and as a precursor for advanced chemical intermediates. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 619-04-5
• Complexity: 154
• IUPAC Name: 3,4-dimethylbenzoic acid
• InChI: InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
• InChI Key: OPVAJFQBSDUNQA-UHFFFAOYSA-N
• Exact Mass: 150.068079557
• Molecular Formula: C9H10O2
• Molecular Weight: 150.17
• SMILES: CC1=C(C=C(C=C1)C(=O)O)C
• Topological: 37.3
• Monoisotopic Mass: 150.068079557
• Physical Description: Solid
• Melting Point: 165 °C
• Solubility: 0.129 mg/mL
• Synonyms: 3,4-DIMETHYLBENZOIC ACID, 619-04-5, Benzoic acid, 3,4-dimethyl-, 1-Carboxy-3,4-dimethylbenzene, BRN 0907267, EINECS 210-576-7, Z2TCZ088AV, UNII-Z2TCZ088AV, DTXSID5060693, CHEBI:64818, OPVAJFQBSDUNQA-UHFFFAOYSA-, 4-09-00-01803 (Beilstein Handbook Reference), DTXCID2043165, 210-576-7, inchi=1/c9h10o2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5h,1-2h3,(h,10,11), opvajfqbsdunqa-uhfffaoysa-n, 3,4-DiMethyl-Benzoic Acid, o-Xylene-4-carboxylic Acid, MFCD00002524, 3,4-Dimethylbenzoicacid, 3,4-dimethyl benzoic acid, 3, 4 dimethyl benzoic acid, SCHEMBL310259, SCHEMBL501764, SCHEMBL4468254, 3,4-Dimethylbenzoic acid, 98%, SBB043550, STL169575, AKOS000120463, AC-8956, CS-W018150, DS-1853, FD54829, FS-2351, HY-W017434, NCGC00338539-01, PD158345, SY001153, D1439, NS00015549, ST50194674, EN300-20154, AB01331517-02, AE-562/40207816, Q27133457, F3098-0374, Z104477078

Application

3,4-Dimethylbenzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, including non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. It is also employed in agrochemical research for the development of herbicides and fungicides. Additionally, this compound finds use in material science as a precursor for liquid crystals and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2A (87.5%)
• STOT SE 3 (75%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.