Cas no 29006-01-7 (Methyl 4-methoxybutanoate)

Methyl 4-methoxybutanoate is a versatile ester compound characterized by its clear liquid form and mild, fruity odor. It serves as a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals, fragrances, and specialty chemicals. The compound's structure, featuring both methoxy and ester functional groups, enhances its reactivity and solubility in various organic solvents, making it suitable for diverse applications. Its stability under standard conditions and compatibility with a range of reagents further contribute to its utility in fine chemical manufacturing. Methyl 4-methoxybutanoate is also noted for its role in the development of flavoring agents and polymer precursors.
Methyl 4-methoxybutanoate structure
Methyl 4-methoxybutanoate structure
Product Name:Methyl 4-methoxybutanoate
CAS No:29006-01-7
MF:C6H12O3
MW:132.157682418823
MDL:MFCD00274316
CID:53412
PubChem ID:24869190
Update Time:2025-08-05

Methyl 4-methoxybutanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-methoxybutanoate
    • 4-Methoxybutyric acid methyl ester
    • Methyl 4-methoxybutyrate
    • 4-Methoxy-buttersaeure-methylester
    • Butyric acid,4-methoxy-,methyl ester
    • methyl methoxybutyrate
    • Butanoic acid, 4-methoxy-, methyl ester
    • VHDGWXQBVWAMJA-UHFFFAOYSA-N
    • Butyric acid, 4-methoxy-, methyl ester
    • methyl,4-Methoxybutanoate
    • 4-methoxy-butyric acid methyl ester
    • BCP29905
    • TRA0002107
    • Butanoic acid,4-methoxy-, methyl ester
    • SY096667
    • R2787
    • J-017351
    • MFCD00274316
    • 29006-01-7
    • DTXSID00337383
    • SCHEMBL907647
    • Methyl 4-methoxybutyrate, 98%
    • AKOS009156523
    • methyl 4-methoxybutanoate;Methyl 4-Methoxybutyrate
    • FT-0698176
    • Methyl4-methoxybutanoate
    • CS-W011093
    • A851206
    • DS-9514
    • F14920
    • methyl-4-methoxybutanoate
    • Methyl 4-methoxybutanoic acid
    • ALBB-022325
    • DB-068049
    • DTXCID90288471
    • MDL: MFCD00274316
    • Inchi: 1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
    • InChI Key: VHDGWXQBVWAMJA-UHFFFAOYSA-N
    • SMILES: O(C)CCCC(=O)OC

Computed Properties

  • Exact Mass: 132.07900
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 80.4
  • 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: 0.6
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Color/Form: Not available
  • Density: 0.969?g/mL?at 25?°C(lit.)
  • Boiling Point: 162-164?°C/767?mmHg(lit.)
  • Flash Point: Fahrenheit: 129.2 ° f
    Celsius: 54 ° c
  • Refractive Index: n20/D 1.408(lit.)
  • PSA: 35.53000
  • LogP: 0.58600
  • Solubility: Not available

Methyl 4-methoxybutanoate Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Hazardous Material transportation number:UN 3272 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • Risk Phrases:R10

Methyl 4-methoxybutanoate 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%

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Methyl 4-methoxybutanoate Related Literature

Additional information on Methyl 4-methoxybutanoate

Methyl 4-methoxybutanoate (CAS No. 29006-01-7): A Comprehensive Overview in Modern Chemical Research

Methyl 4-methoxybutanoate, identified by the chemical abstracts service number CAS No. 29006-01-7, is a significant compound in the realm of organic chemistry and pharmaceutical research. This ester, derived from butanoic acid and methanol, exhibits a unique structural framework that has garnered considerable attention in recent years due to its versatile applications and potential in synthetic chemistry.

The molecular structure of Methyl 4-methoxybutanoate consists of a four-carbon chain with a methoxy group (-OCH?) attached to the fourth carbon. This configuration imparts distinct chemical properties, making it a valuable intermediate in the synthesis of various bioactive molecules. The presence of the methoxy group enhances its reactivity, allowing for further functionalization and modification, which is crucial in drug development and material science.

In recent years, researchers have been exploring the applications of Methyl 4-methoxybutanoate in the field of medicinal chemistry. Its role as a precursor in the synthesis of complex organic molecules has been particularly noteworthy. For instance, it has been utilized in the preparation of novel analogs of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The ester's ability to undergo various chemical transformations, such as transesterification and reduction, makes it an indispensable tool in synthetic protocols.

Moreover, the pharmacological potential of Methyl 4-methoxybutanoate has not gone unnoticed. Studies have suggested that derivatives of this compound may exhibit inhibitory effects on certain enzymes and receptors, making them promising candidates for further investigation. For example, researchers have investigated its potential as an intermediate in the synthesis of compounds that target inflammatory pathways. These findings highlight the compound's significance in developing new therapeutic strategies.

The industrial relevance of Methyl 4-methoxybutanoate is also evident in its use as a flavoring agent and fragrance component. Its pleasant aroma and stability under various conditions make it suitable for applications in food additives, cosmetics, and personal care products. The compound's ability to enhance sensory experiences while maintaining chemical integrity has positioned it as a preferred choice for formulators in these industries.

From an environmental perspective, the synthesis and application of Methyl 4-methoxybutanoate have been examined for their sustainability. Researchers have explored greener synthetic routes that minimize waste and energy consumption. These efforts align with the growing global emphasis on sustainable chemistry practices, ensuring that the production of this valuable compound is both efficient and environmentally friendly.

Recent advancements in analytical techniques have further enhanced our understanding of Methyl 4-methoxybutanoate's properties. High-resolution mass spectrometry (HRMS), nuclear magnetic resonance (NMR) spectroscopy, and other sophisticated methods have allowed scientists to elucidate its structure with high precision. These techniques have also been instrumental in studying its interactions with biological targets, providing insights into its potential pharmacological effects.

The future prospects of Methyl 4-methoxybutanoate are promising, with ongoing research aiming to uncover new applications and optimize its synthesis. As our understanding of organic chemistry continues to evolve, this compound is likely to play an even more significant role in pharmaceuticals, materials science, and beyond. The collaborative efforts of chemists, biologists, and industry professionals will be crucial in realizing these advancements.

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