Cas no 103935-10-0 (Ethyl 2-acetylbenzoate)

Ethyl 2-acetylbenzoate (CAS 87-22-9) is an aromatic ester widely used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include high reactivity due to the presence of both acetyl and ester functional groups, enabling versatile applications in the production of heterocyclic compounds, fragrances, and fine chemicals. The compound exhibits good solubility in common organic solvents, facilitating its use in reactions under mild conditions. Its stable molecular structure ensures consistent performance in multi-step synthetic processes. Ethyl 2-acetylbenzoate is particularly valued for its role in synthesizing quinoline derivatives and other pharmacologically active scaffolds. Proper handling under standard laboratory conditions is recommended.
Ethyl 2-acetylbenzoate structure
Ethyl 2-acetylbenzoate structure
Product Name:Ethyl 2-acetylbenzoate
CAS No:103935-10-0
MF:C11H12O3
MW:192.211183547974
MDL:MFCD00173696
CID:173384
PubChem ID:2799640
Update Time:2025-11-01

Ethyl 2-acetylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-acetylbenzoate
    • Benzoic acid,2-acetyl-, ethyl ester
    • Ethyl 2-acetylbenzenecarboxylate
    • 2-Acetyl-benzoesaeure-aethylester
    • 2-acetyl-benzoic acid ethyl ester
    • Acetophenon-carbonsaeure-(2)-aethylester
    • ethyl o-acetylbenzoate
    • ethylacetylbenzenecarboxylate
    • o-Acetylbenzoesaeureaethylester
    • Ethyl 2-Ethanoylbenzoate
    • Ethyl 2-ethanoylbenzoate, 2'-(Ethoxycarbonyl)acetophenone
    • CS-W022649
    • MFCD00173696
    • Benzoic acid,2-acetyl-,ethyl ester
    • FT-0642548
    • Benzoic acid, 2-acetyl-, ethyl ester
    • J-520683
    • SCHEMBL3945626
    • AKOS005070770
    • 6F-954
    • ETHYL2-ACETYLBENZENECARBOXYLATE
    • DTXSID00384094
    • 103935-10-0
    • DB-004559
    • MDL: MFCD00173696
    • Inchi: 1S/C11H12O3/c1-3-14-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3
    • InChI Key: YCJSSCAQCRQQJT-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC=CC=1C(C)=O)=O

Computed Properties

  • Exact Mass: 192.07900
  • Monoisotopic Mass: 192.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 223
  • 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: 1.5
  • Topological Polar Surface Area: 43.4A^2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 97-99°C 0,3mm
  • Flash Point: 130.9±23.2 °C
  • Refractive Index: 1.512
  • PSA: 43.37000
  • LogP: 2.06590

Ethyl 2-acetylbenzoate Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

Ethyl 2-acetylbenzoate Pricemore >>

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Additional information on Ethyl 2-acetylbenzoate

Ethyl 2-acetylbenzoate (CAS No. 103935-10-0): A Comprehensive Overview

Ethyl 2-acetylbenzoate, with the chemical formula C10H10O3 and the CAS number 103935-10-0, is a versatile organic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This ester, derived from benzoic acid and ethanol, exhibits a variety of applications ranging from flavoring agents to potential pharmaceutical intermediates. Its unique structural properties make it a valuable building block in synthetic chemistry, particularly in the development of more complex molecules.

The compound is characterized by a benzene ring substituted with an acetyl group at the second position and an ethoxy group at the one position. This structural arrangement imparts distinct chemical reactivity, making it a candidate for various chemical transformations. In recent years, the study of Ethyl 2-acetylbenzoate has been further propelled by its potential role in medicinal chemistry, where its derivatives have been explored for their pharmacological properties.

One of the most intriguing aspects of Ethyl 2-acetylbenzoate is its role as a precursor in the synthesis of more complex natural products and pharmaceuticals. Researchers have leveraged its reactivity to develop novel compounds with potential therapeutic applications. For instance, studies have shown that derivatives of Ethyl 2-acetylbenzoate can exhibit anti-inflammatory and analgesic properties, making them promising candidates for further development into new drugs.

The chemical synthesis of Ethyl 2-acetylbenzoate typically involves the esterification of benzoic acid with ethanol under acidic conditions. This reaction is well-documented and can be optimized for high yields and purity. The ease of synthesis makes it an attractive compound for both academic research and industrial applications. Additionally, advances in green chemistry have led to the development of more sustainable methods for producing Ethyl 2-acetylbenzoate, which aligns with global efforts to reduce environmental impact.

In recent years, there has been a growing interest in exploring the biological activity of Ethyl 2-acetylbenzoate and its derivatives. Computational studies have suggested that certain modifications to its structure could enhance its bioavailability and target specificity. These findings have opened up new avenues for drug discovery, particularly in the treatment of chronic inflammatory diseases and pain management.

The compound's stability under various conditions also makes it a valuable tool in chemical research. It remains stable under standard storage conditions, allowing for long-term investigations without degradation. This stability is crucial for experimental consistency and reproducibility in scientific studies.

Ethyl 2-acetylbenzoate has also found applications in the fragrance and flavor industry due to its pleasant aroma and taste profile. Its derivatives are used to create synthetic fragrances that mimic natural scents, contributing to the development of perfumes, soaps, and other consumer products. The compound's versatility underscores its importance across multiple industries.

The future prospects of Ethyl 2-acetylbenzoate are promising, with ongoing research aimed at uncovering new applications and improving synthetic methodologies. As our understanding of organic chemistry continues to evolve, it is likely that this compound will play an even greater role in both academic research and industrial processes.

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