Cas no 33499-43-3 (Ethyl 2,5-dimethylbenzoate)

Ethyl 2,5-dimethylbenzoate is a benzoate ester derivative characterized by its aromatic structure with methyl substituents at the 2- and 5-positions. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and fragrances. Its ester functionality enhances solubility in organic solvents, facilitating reactions such as esterifications or transesterifications. The presence of methyl groups influences its reactivity and steric properties, making it useful for selective transformations. Ethyl 2,5-dimethylbenzoate exhibits stability under standard conditions and is compatible with a range of synthetic methodologies. Its well-defined structure ensures consistent performance in applications requiring precise molecular frameworks.
Ethyl 2,5-dimethylbenzoate structure
Ethyl 2,5-dimethylbenzoate structure
Product Name:Ethyl 2,5-dimethylbenzoate
CAS No:33499-43-3
MF:C11H14O2
MW:178.227663516998
MDL:MFCD00048548
CID:821104
PubChem ID:14325396
Update Time:2025-05-26

Ethyl 2,5-dimethylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dimethylbenzoic acid ethyl ester
    • ETHYL 2,5-DIMETHYLBENZOATE
    • 2,5-Dimethyl-benzoesaeure-aethylester
    • Ethyl-2,5-dimethylbenzoat
    • SCHEMBL4834369
    • CS-0323495
    • F97158
    • DTXSID10558966
    • 33499-43-3
    • MFCD00048548
    • AKOS008948114
    • DB-048425
    • ETHYL-2,5-DIMETHYLBENZOATE
    • Ethyl 2,5-dimethylbenzoate
    • MDL: MFCD00048548
    • Inchi: 1S/C11H14O2/c1-4-13-11(12)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
    • InChI Key: DDZFMOLFXZLMPP-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C(C)C=CC=1C)=O

Computed Properties

  • Exact Mass: 178.09900
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 2.48010

Ethyl 2,5-dimethylbenzoate 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%

Ethyl 2,5-dimethylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E939970-2.5g
Ethyl 2,5-dimethylbenzoate
33499-43-3
2.5g
$ 50.00 2022-06-05
TRC
E939970-5g
Ethyl 2,5-dimethylbenzoate
33499-43-3
5g
$ 95.00 2022-06-05
TRC
E939970-25g
Ethyl 2,5-dimethylbenzoate
33499-43-3
25g
$ 320.00 2022-06-05
abcr
AB132835-25 g
Ethyl-2,5-dimethylbenzoate; .
33499-43-3
25 g
€183.50 2023-07-20
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1394165-25g
Ethyl 2,5-dimethylbenzoate
33499-43-3 98%
25g
¥972.00 2024-05-18
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1394165-100g
Ethyl 2,5-dimethylbenzoate
33499-43-3 98%
100g
¥3348.00 2024-05-18
A2B Chem LLC
AF58763-1g
Ethyl 2,5-dimethylbenzoate
33499-43-3
1g
$15.00 2024-04-20
A2B Chem LLC
AF58763-5g
Ethyl 2,5-dimethylbenzoate
33499-43-3
5g
$27.00 2024-04-20
A2B Chem LLC
AF58763-25g
Ethyl 2,5-dimethylbenzoate
33499-43-3
25g
$99.00 2024-04-20
abcr
AB132835-50g
Ethyl-2,5-dimethylbenzoate; .
33499-43-3
50g
€230.20 2024-06-11

Ethyl 2,5-dimethylbenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:33499-43-3)Ethyl 2,5-dimethylbenzoate
Order Number:A1154891
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:25
Price ($):158.0

Additional information on Ethyl 2,5-dimethylbenzoate

Ethyl 2,5-dimethylbenzoate (CAS No. 33499-43-3): A Comprehensive Overview

Ethyl 2,5-dimethylbenzoate, with the chemical formula C10H12O2 and the CAS number 33499-43-3, is an ester derivative of benzoic acid. This compound is characterized by its two methyl groups positioned at the 2nd and 5th carbon atoms of the benzene ring, and it is esterified with ethanol. Ethyl 2,5-dimethylbenzoate is widely recognized for its applications in the fragrance and flavor industry, as well as in various scientific research domains. Its unique molecular structure and chemical properties make it a subject of interest in both industrial and academic settings.

The synthesis of Ethyl 2,5-dimethylbenzoate typically involves the esterification of 2,5-dimethylbenzoic acid with ethanol in the presence of an acid catalyst. This reaction is commonly carried out under reflux conditions to ensure high yield and purity. The process highlights the compound's versatility in chemical transformations and its potential for further functionalization.

In recent years, Ethyl 2,5-dimethylbenzoate has garnered attention in the field of medicinal chemistry due to its structural analogs that exhibit promising biological activities. For instance, researchers have explored its derivatives as potential candidates for anti-inflammatory and antimicrobial applications. The presence of methyl groups at specific positions on the benzene ring influences its electronic properties and reactivity, making it a valuable scaffold for drug design.

One of the most intriguing aspects of Ethyl 2,5-dimethylbenzoate is its role in material science. The compound's ability to form stable complexes with other molecules has led to investigations into its use as a ligand in coordination chemistry. These complexes have shown potential in catalytic applications, particularly in organic synthesis. The study of such interactions not only enhances our understanding of molecular recognition but also opens new avenues for developing novel catalysts.

The fragrance industry has long utilized Ethyl 2,5-dimethylbenzoate for its pleasant aroma and stability. Its sweet, floral scent makes it a popular choice in perfumes and scented candles. Moreover, its resistance to oxidation ensures that it retains its fragrance over time, making it a reliable ingredient in various aromatic formulations.

Recent advancements in analytical chemistry have also contributed to a deeper understanding of Ethyl 2,5-dimethylbenzoate's properties. Techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have enabled researchers to elucidate its molecular structure with high precision. These studies have confirmed the compound's stability under various conditions and have provided insights into its potential degradation pathways.

The environmental impact of Ethyl 2,5-dimethylbenzoate is another area of interest. While it is not classified as a hazardous substance, its persistence in the environment has been studied. Research suggests that it undergoes slow biodegradation under natural conditions, but its presence in water bodies can still pose ecological risks if not properly managed. Efforts are being made to develop sustainable practices that minimize environmental release while maintaining its industrial benefits.

In conclusion, Ethyl 2,5-dimethylbenzoate (CAS No. 33499-43-3) is a multifaceted compound with significant applications across multiple industries. Its role in fragrance production, medicinal chemistry, material science, and environmental studies underscores its importance as a chemical entity. As research continues to uncover new uses and properties of this compound, it will undoubtedly remain a key player in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:33499-43-3)Ethyl 2,5-dimethylbenzoate
A1154891
Purity:99%
Quantity:100g
Price ($):158.0
Email