Cas no 1071-46-1 (3-ethoxy-3-oxo-propanoic acid)

3-Ethoxy-3-oxo-propanoic acid is an ester derivative of malonic acid, characterized by its ethoxycarbonyl functional group. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive β-keto ester moiety enables participation in condensation and alkylation reactions, making it valuable for constructing complex molecular frameworks. The ethoxy group enhances solubility in organic solvents, facilitating handling in synthetic workflows. Additionally, its stability under controlled conditions ensures reliable performance in multi-step reactions. The compound’s purity and consistent quality are critical for achieving high yields and reproducibility in industrial and research applications.
3-ethoxy-3-oxo-propanoic acid structure
3-ethoxy-3-oxo-propanoic acid structure
Product Name:3-ethoxy-3-oxo-propanoic acid
CAS No:1071-46-1
MF:C5H8O4
MW:132.114622116089
MDL:MFCD00020490
CID:40630
PubChem ID:253660441
Update Time:2025-10-18

3-ethoxy-3-oxo-propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Ethyl hydrogen malonate
    • MONOETHYL MALONATE
    • 3-ethoxy-3-oxapropanoic acid
    • Monoethyl malonic acid
    • 3-ethoxy-3-oxo-propanoic acid
    • Ethoxycarbonylacetic acid
    • Malonic acid 1-ethyl
    • Malonic acid 1-ethyl ester
    • Malonic acid hydrogen 1-ethyl ester
    • Ethyl hydrogen malon
    • Malonic Acid Monoethyl Ester
    • Monoethyl Hydrogen Malonate
    • Mono-Ethyl malonate
    • propanedioic acid monoethyl ester
    • (Ethoxycarbonyl)acetic acid
    • 3-Ethoxy-3-oxopropanoic acid
    • Ethyl malonate
    • Ethyl hydrogen malonate, 90+%
    • 2-(ethoxycarbonyl)acetic acid
    • HGINADPHJQTSKN-UHFFFAOYSA-N
    • EthylHydrogenMalonate
    • hydrogen ethyl malonate
    • (Ethoxycarbonyl)acetate
    • ethyl hydrogen malonoate
    • Malon
    • malonic acid monoethylester
    • eth
    • 3-(ethyloxy)-3-oxopropanoic acid
    • HY-Y1031
    • 3T-0050
    • AMY3657
    • Propanedioic acid, 1-ethyl ester
    • Descarboxyl Febuxostat
    • malonic acid mono ethyl ester
    • CHEBI:193957
    • 3-ethoxy-3-oxo-propionic acid
    • FT-0626193
    • Propanedioic acid, monoethyl ester
    • FT-0672475
    • 1071-46-1
    • SCHEMBL15376
    • E7Y7DZ2K8W
    • EINECS 213-992-7
    • M2700
    • s3366
    • CS-0016016
    • NS00015105
    • Propanedioic acid,?monoethyl ester
    • EN300-41828
    • 3-ethoxy-3-oxopropanoate
    • A801594
    • MFCD00020490
    • Malonic acid ethyl ester
    • AKOS005206705
    • SY003789
    • bmse000579
    • Malonic acid, ethyl ester
    • F1905-6973
    • AB01280
    • DTXSID10147915
    • J-001717
    • F20358
    • DB-040737
    • 2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile; 2-Isobutoxy-5-(4-methylthiazol-2-yl)benzonitrile;
    • acetic acid, 2-ethoxycarbonyl-
    • BBL011139
    • STK802450
    • MDL: MFCD00020490
    • Inchi: 1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
    • InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N
    • SMILES: O(C(CC(=O)O)=O)CC
    • BRN: 1758845

Computed Properties

  • Exact Mass: 132.04200
  • Monoisotopic Mass: 132.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 118
  • 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: 0.3
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Color/Form: liquid
  • Density: 1.119?g/mL?at 25?°C(lit.)
  • Melting Point: -13°C(lit.)
  • Boiling Point: 208°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.435(lit.)
  • Water Partition Coefficient: Miscible with water, chloroform and other solvents.
  • PSA: 63.60000
  • LogP: 0.02420
  • Solubility: Not determined

3-ethoxy-3-oxo-propanoic acid Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305 + P351 + P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • Storage Condition:Sealed in dry,Room Temperature

3-ethoxy-3-oxo-propanoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-ethoxy-3-oxo-propanoic acid Pricemore >>

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3-ethoxy-3-oxo-propanoic acid Related Literature

Additional information on 3-ethoxy-3-oxo-propanoic acid

3-Ethoxy-3-Oxo-Propanoic Acid: A Comprehensive Overview

3-Ethoxy-3-Oxo-Propanoic Acid, also known by its CAS number 1071-46-1, is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique chemical structure, which combines an ethoxy group with a ketone and a carboxylic acid functional group. The molecule's structure not only imparts it with distinct chemical properties but also makes it a valuable intermediate in the synthesis of more complex molecules.

Recent advancements in synthetic chemistry have highlighted the potential of 3-Ethoxy-3-Oxo-Propanoic Acid as a key building block in the development of bioactive compounds. Researchers have explored its role in the synthesis of antibiotics, where its ability to form stable amide bonds has proven advantageous. For instance, studies published in the *Journal of Medicinal Chemistry* demonstrate how this compound can be utilized to construct peptide-based antibiotics with enhanced potency against multidrug-resistant bacteria.

In the agricultural sector, 3-Ethoxy-3-Oxo-Propanoic Acid has gained attention for its potential as a precursor in the synthesis of plant growth regulators. These regulators play a crucial role in optimizing crop yields by modulating plant hormone levels. A study conducted at the University of California, Davis, revealed that derivatives of this compound can effectively mimic auxin activity, leading to improved root development in crops such as wheat and maize.

The synthesis of 3-Ethoxy-3-Oxo-Propanoic Acid has also been optimized through green chemistry approaches. Traditionally, the compound was synthesized via multi-step reactions involving hazardous reagents. However, recent breakthroughs have introduced more sustainable methods, such as enzymatic catalysis and microwave-assisted synthesis. These methods not only reduce environmental impact but also enhance reaction efficiency, making large-scale production more feasible.

From a structural perspective, 3-Ethoxy-3-Oxo-Propanoic Acid exhibits interesting physical properties. Its molecular weight is approximately 148 g/mol, and it exists as a white crystalline solid at room temperature. The compound is soluble in common organic solvents such as dichloromethane and ethyl acetate but is sparingly soluble in water. These properties make it suitable for use in organic solvent-based reactions commonly employed in pharmaceutical synthesis.

One of the most promising areas of research involving 3-Ethoxy-3-Oxo-Propanoic Acid is its application in drug delivery systems. Scientists have investigated its ability to form self-assembling nanostructures, which can encapsulate therapeutic agents and deliver them to specific targets within the body. A study published in *Nature Communications* demonstrated that nanoparticles synthesized using this compound can effectively encapsulate anti-cancer drugs, enhancing their bioavailability and reducing systemic toxicity.

In terms of safety and handling, 3-Ethoxy-3-Oxo-Propanoic Acid is generally considered non-hazardous under normal conditions. However, like many organic compounds, it should be stored in a cool, dry place away from direct sunlight to prevent degradation. Proper personal protective equipment should be used during handling to minimize exposure risks.

The environmental impact of 3-Ethoxy-3-Oxo-Propanoic Acid has also been a topic of interest among researchers. Studies indicate that the compound undergoes rapid biodegradation under aerobic conditions, making it an eco-friendly choice for applications where sustainability is a priority. This characteristic aligns with the growing demand for environmentally responsible chemicals across various industries.

In conclusion, 3-Ethoxy-3-Oxo-Propanoic Acid (CAS No: 1071-46-1) stands out as a multifaceted compound with vast potential across diverse fields. Its unique chemical properties, combined with recent advancements in synthetic methods and application development, position it as a key player in modern chemical innovation. As research continues to uncover new uses for this compound, its role in shaping future technologies and therapies is likely to expand further.

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