Cas no 499-06-9 (3,5-Dimethylbenzoic acid)

3,5-Dimethylbenzoic acid is a substituted benzoic acid derivative featuring methyl groups at the 3 and 5 positions of the aromatic ring. This structural modification enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The compound exhibits improved solubility in organic solvents compared to unsubstituted benzoic acid, facilitating its use in reactions such as esterifications and amide formations. Its consistent purity and stability under standard conditions ensure reliable performance in research and industrial processes. 3,5-Dimethylbenzoic acid is particularly useful in the preparation of fine chemicals, agrochemicals, and active pharmaceutical ingredients (APIs).
3,5-Dimethylbenzoic acid structure
3,5-Dimethylbenzoic acid structure
Product Name:3,5-Dimethylbenzoic acid
CAS No:499-06-9
MF:C9H10O2
MW:150.174502849579
MDL:MFCD00002525
CID:37810
PubChem ID:10356
Update Time:2025-05-20

3,5-Dimethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethylbenzoic acid
    • Mesitylenic acid
    • 3,5-Dimethylbenzoesaeure
    • 3,5-Dimethyl-benzoic acid
    • Benzoic acid,3,5-dimethyl
    • EINECS 207-876-5
    • Mesitylenic acid,sym.-m-Xylylic acid
    • m-Xylene-5-carboxylic Acid
    • sym.-m-Xylylic acid
    • symm. m-Xylylsaeure
    • syM-M-Xylylic acid
    • m-Xylylic acid
    • AM20060638
    • 3,5 Dimethylbenzoic acid
    • 3,5-Dimethylbenzoic acid, purum, >=97.0% (HPLC)
    • 3,5-dimethylbenzoate;3,5-Dimethylbenzoic acid
    • Benzoic acid, 3,5-dimethyl-
    • FS-2204
    • D-5000
    • F2191-0064
    • BP-12851
    • A827889
    • 3,5-Dimethyl benzoic acid
    • CHEBI:64821
    • D0684
    • ED8AV34N0Y
    • NSC-37562
    • NSC37562
    • BDBM50405323
    • AKOS000119565
    • 499-06-9
    • AB-131/40207591
    • SCHEMBL221684
    • STR01989
    • 3,5-Dimethylbenzoic acid, 99%
    • FT-0602342
    • CHEMBL118239
    • Q27133464
    • 3,5-Dimethylbezoic acid
    • BRN 1072182
    • UNII-ED8AV34N0Y
    • 4-09-00-01806 (Beilstein Handbook Reference)
    • D71201
    • 3,5-Dimethylbenzoicacid
    • NSC 37562
    • EN300-20123
    • SY012192
    • MFCD00002525
    • NS00031981
    • Z104476972
    • AB00235
    • 3,5-Dimethylbenzoic-d9Acid
    • DTXSID4060101
    • InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11
    • AC-10405
    • CS-W019514
    • DB-030897
    • DTXCID0040755
    • STL164368
    • Mesitylenic acid, sym.-m-Xylylic acid
    • FD37651
    • 207-876-5
    • MDL: MFCD00002525
    • Inchi: 1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
    • InChI Key: UMVOQQDNEYOJOK-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C)C=C(C)C=1)=O
    • BRN: 1072182

Computed Properties

  • Exact Mass: 150.06800
  • Monoisotopic Mass: 150.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: White flake powder
  • Density: 1.0937 (estimate)
  • Melting Point: 168.0 to 172.0 deg-C
  • Boiling Point: 277.9°C at 760 mmHg
  • Flash Point: 128
  • Refractive Index: 1.5188 (estimate)
  • Water Partition Coefficient: Soluble in methanol. (1 g/10 mL). Slightly soluble in water.
  • PSA: 37.30000
  • LogP: 2.00160
  • pka: 4.32(at 25℃)
  • Solubility: Slightly soluble in water, easily soluble in benzene, toluene, ethanol, ether and other organic solvents.

3,5-Dimethylbenzoic acid Security Information

3,5-Dimethylbenzoic acid Customs Data

  • HS CODE:29163900
  • 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%

3,5-Dimethylbenzoic acid Pricemore >>

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3,5-Dimethylbenzoic acid Production Method

3,5-Dimethylbenzoic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:499-06-9)3,5-Dimethylbenzoic acid
Order Number:sfd18126
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:499-06-9)3,5-Dimethylbenzoic Acid
Order Number:LE1454;LE18761;LE5678696
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:40
Price ($):discuss personally

3,5-Dimethylbenzoic acid Related Literature

Additional information on 3,5-Dimethylbenzoic acid

3,5-Dimethylbenzoic Acid (CAS No. 499-06-9): A Comprehensive Overview

3,5-Dimethylbenzoic acid (CAS No. 499-06-9) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique molecular structure, which consists of a benzene ring substituted with two methyl groups at the 3 and 5 positions and a carboxylic acid group at the 1 position. The chemical formula of 3,5-dimethylbenzoic acid is C9H10O2, and it has a molecular weight of 150.17 g/mol.

The physical properties of 3,5-dimethylbenzoic acid are well-documented. It appears as a white crystalline solid at room temperature and has a melting point of approximately 147-149°C. The compound is slightly soluble in water but exhibits good solubility in organic solvents such as ethanol, acetone, and dichloromethane. These properties make it an attractive candidate for various applications in chemical synthesis and pharmaceutical formulations.

In the realm of chemical synthesis, 3,5-dimethylbenzoic acid serves as a valuable building block for the preparation of more complex molecules. Its reactivity and functional groups enable it to participate in a wide range of reactions, including esterification, amidation, and coupling reactions. Recent studies have explored the use of 3,5-dimethylbenzoic acid in the synthesis of novel pharmaceuticals and agrochemicals. For instance, researchers at the University of California have reported the successful synthesis of a series of 3,5-dimethylbenzoic acid-derived compounds with potential antiviral activity against influenza viruses.

The biological activity of 3,5-dimethylbenzoic acid has also been the subject of extensive research. Studies have shown that this compound exhibits anti-inflammatory properties by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. Additionally, it has been found to possess antioxidant activity, which can help protect cells from oxidative stress and damage. These findings have sparked interest in exploring the potential therapeutic applications of 3,5-dimethylbenzoic acid in treating inflammatory diseases and conditions associated with oxidative stress.

In the pharmaceutical industry, 3,5-dimethylbenzoic acid is used as an intermediate in the synthesis of various drugs. One notable example is its use in the production of nonsteroidal anti-inflammatory drugs (NSAIDs). The compound's ability to modulate inflammatory pathways makes it a valuable starting material for developing new NSAIDs with improved efficacy and reduced side effects. Researchers at Harvard Medical School have recently published a study demonstrating the effectiveness of a novel NSAID derived from 3,5-dimethylbenzoic acid in reducing pain and inflammation in animal models.

Beyond its pharmaceutical applications, 3,5-dimethylbenzoic acid has found utility in other areas such as materials science and environmental chemistry. In materials science, it has been used to synthesize functional polymers with unique properties for applications in coatings and adhesives. Environmental chemists have also investigated the biodegradability and environmental impact of 3,5-dimethylbenzoic acid, finding that it can be effectively degraded by microorganisms under aerobic conditions.

The safety profile of 3,5-dimethylbenzoic acid is another important consideration for its use in various applications. Toxicological studies have shown that it has low acute toxicity when administered orally or dermally to laboratory animals. However, like many organic compounds, it should be handled with appropriate precautions to avoid prolonged exposure or inhalation. Safety data sheets (SDS) provide detailed information on handling and storage guidelines to ensure safe use.

In conclusion, 3,5-dimethylbenzoic acid (CAS No. 499-06-9) is a multifaceted compound with a wide range of applications in chemistry, biochemistry, and pharmaceutical research. Its unique molecular structure and favorable physical properties make it an invaluable building block for chemical synthesis. Ongoing research continues to uncover new potential uses for this compound, highlighting its importance in advancing scientific knowledge and developing innovative solutions for various industries.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:499-06-9)3,5-Dimethylbenzoic acid
sfd18126
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:499-06-9)3,5-Dimethylbenzoic Acid
LE1454;LE18761;LE5678696
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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