Cas no 619-04-5 (3,4-Dimethylbenzoic acid)

3,4-Dimethylbenzoic acid is a substituted benzoic acid derivative featuring methyl groups at the 3 and 4 positions of the aromatic ring. This structural modification enhances its utility in organic synthesis, particularly as an intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. The compound exhibits predictable reactivity due to its well-defined aromatic and carboxylic acid functionalities, making it suitable for carboxylation, esterification, and other derivatization reactions. Its crystalline solid form ensures ease of handling and storage under standard conditions. The electron-donating methyl groups influence its solubility and reactivity profile, offering advantages in regioselective transformations. Purity and consistent performance are critical for its applications in fine chemical synthesis.
3,4-Dimethylbenzoic acid structure
3,4-Dimethylbenzoic acid structure
Product Name:3,4-Dimethylbenzoic acid
CAS No:619-04-5
MF:C9H10O2
MW:150.174502849579
MDL:MFCD00002524
CID:39010
PubChem ID:12073
Update Time:2025-11-01

3,4-Dimethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dimethylbenzoic acid
    • 1-Carboxy-3,4-dimethylbenzene
    • 3,4-diMeC6H4COOH
    • 3,4-dimethylbenzene carboxylic acid
    • 3,4-Dimethyl-benzoesaeure
    • 3,4-DiMethyl-Benzoic Acid
    • asym.-o-Xylylic acid
    • asyM-o-Xylylic acid
    • Benzoic acid,3,4-dimethyl
    • EINECS 210-576-7
    • o-Xylene-4-carboxylic Acid
    • Paraxy lylic acid
    • p-Xylylic acid
    • unsyM-o-Xylylic acid
    • Benzoic acid, 3,4-dimethyl-
    • Z2TCZ088AV
    • OPVAJFQBSDUNQA-UHFFFAOYSA-N
    • 3,4-Dimethylbenzoicacid
    • PubChem14893
    • 3,4-dimethyl benzoic acid
    • 3, 4 dimethyl benzoic acid
    • Benzoic acid,3,4-dimethyl-
    • PAR
    • Paraxylic Acid
    • AM10821
    • SCHEMBL310259
    • 4-09-00-01803 (Beilstein Handbook Reference)
    • SY001153
    • FT-0614372
    • UNII-Z2TCZ088AV
    • NS00015549
    • Z104477078
    • DTXSID5060693
    • 3,4-Dimethylbenzoic acid, 98%
    • CHEBI:64818
    • PD158345
    • AC-8956
    • AE-562/40207816
    • W-105082
    • EN300-20154
    • AB01331517-02
    • HY-W017434
    • 619-04-5
    • F3098-0374
    • BRN 0907267
    • OPVAJFQBSDUNQA-UHFFFAOYSA-
    • NCGC00338539-01
    • InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
    • DS-1853
    • MFCD00002524
    • Q27133457
    • D1439
    • CS-W018150
    • AKOS000120463
    • FS-2351
    • DTXCID2043165
    • STL169575
    • 210-576-7
    • FD54829
    • MDL: MFCD00002524
    • 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
    • SMILES: OC(C1C=CC(C)=C(C)C=1)=O
    • BRN: 0907267

Computed Properties

  • Exact Mass: 150.06800
  • Monoisotopic Mass: 150.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 154
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.7
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Off white powder.
  • Density: 1.0937 (estimate)
  • Melting Point: 165.0 to 169.0 deg-C
  • Boiling Point: 294.6°C at 760 mmHg
  • Refractive Index: 1.5188 (estimate)
  • PSA: 37.30000
  • LogP: 2.00160
  • Solubility: Insoluble in water.

3,4-Dimethylbenzoic acid Security Information

3,4-Dimethylbenzoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3,4-Dimethylbenzoic acid Pricemore >>

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3,4-Dimethylbenzoic acid Production Method

3,4-Dimethylbenzoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:619-04-5)3,4-Dimethylbenzoic acid
Order Number:LE5167;LE2891879
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:46
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:619-04-5)3,4-Dimethylbenzoic acid
Order Number:sfd6256
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
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Amadis Chemical Company Limited
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(CAS:619-04-5)3,4-Dimethylbenzoic acid
Order Number:A833478
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:33
Price ($):227.0

3,4-Dimethylbenzoic acid Related Literature

Additional information on 3,4-Dimethylbenzoic acid

3,4-Dimethylbenzoic Acid (CAS No. 619-04-5): An Overview of Its Properties, Applications, and Recent Research

3,4-Dimethylbenzoic acid (CAS No. 619-04-5) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its aromatic structure with two methyl groups and a carboxylic acid functional group. The unique combination of these functional groups endows 3,4-dimethylbenzoic acid with a range of properties that make it valuable in various applications.

The molecular formula of 3,4-dimethylbenzoic acid is C9H10O2, and its molecular weight is approximately 150.17 g/mol. The compound is a white crystalline solid at room temperature and is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. These physical properties are crucial for its use in synthetic processes and as a building block in the development of more complex molecules.

In the realm of organic synthesis, 3,4-dimethylbenzoic acid serves as an important intermediate for the preparation of various derivatives. Its carboxylic acid group can undergo esterification, amidation, and other reactions to form esters, amides, and other functionalized compounds. These derivatives find applications in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. For instance, esters derived from 3,4-dimethylbenzoic acid are used as plasticizers and intermediates in the production of dyes and pigments.

The aromatic structure of 3,4-dimethylbenzoic acid, particularly the presence of the two methyl groups at the 3- and 4-positions, influences its reactivity and stability. These substituents can modulate the electronic properties of the benzene ring, affecting the compound's behavior in various chemical reactions. Recent studies have explored the use of 3,4-dimethylbenzoic acid in the synthesis of novel materials with enhanced properties. For example, researchers have utilized this compound to create conjugated polymers with improved conductivity and photoluminescence characteristics.

In the pharmaceutical industry, 3,4-dimethylbenzoic acid has been investigated for its potential therapeutic applications. One area of interest is its use as a precursor for the synthesis of anti-inflammatory drugs. The carboxylic acid group can be modified to form prodrugs that are more readily absorbed by the body and have enhanced bioavailability. Additionally, derivatives of 3,4-dimethylbenzoic acid have shown promise in the development of anticancer agents due to their ability to inhibit specific enzymes involved in tumor growth.

The environmental impact of chemicals is an important consideration in their use and development. Studies on the biodegradability and ecotoxicity of 3,4-dimethylbenzoic acid have indicated that it is relatively stable under environmental conditions but can be degraded by microorganisms over time. This information is crucial for assessing its safety in industrial applications and ensuring compliance with environmental regulations.

In conclusion, 3,4-dimethylbenzoic acid (CAS No. 619-04-5) is a multifaceted compound with a wide range of applications in chemistry and related fields. Its unique structural features make it a valuable intermediate for synthetic processes and a promising candidate for the development of new materials and pharmaceuticals. Ongoing research continues to uncover new possibilities for this versatile compound, further highlighting its significance in modern scientific endeavors.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:619-04-5)3,4-Dimethylbenzoic acid
LE5167;LE2891879
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:619-04-5)3,4-Dimethylbenzoic acid
sfd6256
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email