Cas no 2960-66-9 (Ethyl trans-4-oxo-2-butenoate)

Ethyl trans-4-oxo-2-butenoate is a versatile α,β-unsaturated ester with a conjugated ketone functionality, making it a valuable intermediate in organic synthesis. Its structure allows for participation in Michael additions, Diels-Alder reactions, and other nucleophilic transformations, facilitating the construction of complex molecular frameworks. The ethyl ester group enhances solubility in organic solvents, improving handling and reactivity in various synthetic protocols. This compound is particularly useful in pharmaceutical and fine chemical applications, where its reactivity profile enables efficient derivatization. High purity grades ensure consistent performance in sensitive reactions. Proper storage under inert conditions is recommended to maintain stability.
Ethyl trans-4-oxo-2-butenoate structure
Ethyl trans-4-oxo-2-butenoate structure
Product Name:Ethyl trans-4-oxo-2-butenoate
CAS No:2960-66-9
MF:C6H8O3
MW:128.125922203064
MDL:MFCD00236170
CID:84545
PubChem ID:7019541
Update Time:2025-10-28

Ethyl trans-4-oxo-2-butenoate Chemical and Physical Properties

Names and Identifiers

    • (E)-Ethyl 4-oxobut-2-enoate
    • Ethyl 3-formylacrylate~Ethyl fumaraldehydate~trans-4-Oxo-2-butenoic acid ethyl ester
    • Ethyl Trans-4-Oxo-2-Butenoate
    • Ethyl 3-formylacrylate
    • Ethyl trans-4-Oxobutenoate
    • (2E)-4-oxo-2-butenoic acid ethyl ester
    • (E)-4-oxobut-2-enoic acid ethyl ester
    • 4-oxo-but-2-enoic acid ethyl ester
    • 4-oxocrotonic acid ethyl ester
    • Ethyl 4-oxobut-2-enoate
    • ethyl fumaraldehydate
    • Ethyl (E)-4-oxobut-2-enoate
    • 2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-
    • (E)-4-oxo-but-2-enoic acid ethyl ester
    • ethyl-(E)-4-oxobutenoate
    • (E)-ethyl 3-formylacrylate
    • ethyl-4-oxo-trans-2-butenoate
    • ethyl (E)-4-oxo-2-butenoate
    • ethyl (2e)-4-oxobut-2-enoate
    • SDGAEBKMHIPSAC-ONEGZZNKSA-N
    • BCP16342
    • 4-oxo-2-butenoic Acid Ethyl Ester
    • CE0113
    • AK
    • 4038-33-9
    • J-017579
    • ethyl (2E)-4-oxo-2-butenoate
    • CS-W020184
    • SCHEMBL1138071
    • SCHEMBL1138075
    • AMY39019
    • AKOS015950671
    • F0001-0915
    • DTXSID501309387
    • Fumaraldehydic Acid Ethyl Ester
    • (E)-Ethyl4-oxobut-2-enoate
    • A854714
    • LS-13139
    • 2960-66-9
    • EN300-2008947
    • AS-33222
    • MFCD00236170
    • Ethyl trans-4-oxo-2-butenoate
    • MDL: MFCD00236170
    • Inchi: 1S/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
    • InChI Key: SDGAEBKMHIPSAC-ONEGZZNKSA-N
    • SMILES: O(C(/C=C/C=O)=O)CC
    • BRN: 8762336

Computed Properties

  • Exact Mass: 128.04700
  • Monoisotopic Mass: 128.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 126
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4
  • XLogP3: 0.2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.063(lit.)
  • Melting Point: -9°C
  • Boiling Point: 199.3℃ at 760 mmHg
  • Flash Point: 68°C
  • Refractive Index: 1.4550
  • Water Partition Coefficient: Slightly soluble in water(2.6 g/L at 25°C).
  • PSA: 43.37000
  • LogP: 0.30460
  • Solubility: Not available

Ethyl trans-4-oxo-2-butenoate Security Information

  • Hazardous Material transportation number:UN 2927
  • Hazard Category Code: 25-34-43
  • Safety Instruction: S23-S36/37/39-S45
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R25; R34; R43
  • Safety Term:S23;S36/37/39;S45
  • Packing Group:III

Ethyl trans-4-oxo-2-butenoate 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 trans-4-oxo-2-butenoate Pricemore >>

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Ethyl trans-4-oxo-2-butenoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:2960-66-9)Ethyl trans-4-oxo-2-butenoate
Order Number:A854714
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:52
Price ($):187.0

Additional information on Ethyl trans-4-oxo-2-butenoate

Ethyl trans-4-oxo-2-butenoate (CAS No. 2960-66-9): Properties, Applications, and Market Insights

Ethyl trans-4-oxo-2-butenoate, with the CAS number 2960-66-9, is a versatile organic compound widely used in pharmaceuticals, fragrances, and specialty chemicals. This ester derivative of trans-4-oxo-2-butenoic acid is valued for its unique chemical properties, including its reactivity as a Michael acceptor and its role as a key intermediate in organic synthesis. The growing demand for flavor and fragrance ingredients and pharmaceutical intermediates has increased interest in this compound, making it a subject of research and commercial applications.

One of the most notable features of Ethyl trans-4-oxo-2-butenoate is its role in the synthesis of heterocyclic compounds, which are essential in drug development. Researchers have explored its use in creating antimicrobial agents and anti-inflammatory compounds, aligning with current trends in pharmaceutical innovation. Additionally, its fruity, slightly caramel-like odor makes it a valuable component in perfumery and food flavoring, where natural and synthetic aroma chemicals are in high demand.

The compound's chemical stability and solubility in organic solvents enhance its utility in industrial processes. Manufacturers often employ Ethyl trans-4-oxo-2-butenoate in multi-step organic reactions, including condensation and cyclization reactions. Its compatibility with various catalysts and reagents makes it a preferred choice for chemists working on green chemistry and sustainable synthesis, topics that are gaining traction in scientific and industrial communities.

Market trends indicate a rising demand for high-purity Ethyl trans-4-oxo-2-butenoate, driven by advancements in fine chemical production and custom synthesis services. Companies specializing in specialty chemicals are investing in improved purification techniques to meet the stringent requirements of pharmaceutical and cosmetic industries. Furthermore, regulatory compliance and quality control standards are shaping the supply chain, ensuring that the compound meets international safety and efficacy benchmarks.

In academic research, CAS 2960-66-9 has been studied for its potential in biocatalysis and enzyme-mediated synthesis, areas that align with the growing interest in bio-based chemicals. Scientists are exploring microbial and enzymatic pathways to produce derivatives of Ethyl trans-4-oxo-2-butenoate, reducing reliance on traditional chemical methods. This approach supports the broader shift toward eco-friendly manufacturing and renewable feedstocks, which are key focus areas in modern chemical research.

For businesses and researchers sourcing Ethyl trans-4-oxo-2-butenoate, factors such as supplier reliability, batch consistency, and technical support are critical considerations. Leading chemical suppliers provide detailed technical data sheets and analytical reports to ensure transparency and facilitate seamless integration into various applications. As the chemical industry evolves, innovations in process optimization and scalable production will further enhance the accessibility and utility of this compound.

In conclusion, Ethyl trans-4-oxo-2-butenoate (CAS 2960-66-9) is a multifaceted chemical with significant applications in pharmaceuticals, fragrances, and specialty synthesis. Its role in drug discovery, flavor formulation, and sustainable chemistry underscores its importance in both industrial and academic settings. As research continues to uncover new uses and synthetic pathways, this compound is poised to remain a valuable asset in the chemical sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2960-66-9)Ethyl trans-4-oxo-2-butenoate
A854714
Purity:99%
Quantity:25g
Price ($):187.0
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