Cas no 6963-56-0 (Butanoic acid,(4-methoxyphenyl)methyl ester)

Butanoic acid, (4-methoxyphenyl)methyl ester, is a synthetic ester compound formed by the reaction of butanoic acid with 4-methoxybenzyl alcohol. This ester is characterized by its clear to pale-yellow appearance and a mild, aromatic odor. It is primarily utilized in organic synthesis and fragrance applications due to its stable ester linkage and compatibility with various reaction conditions. The presence of the methoxy group enhances its solubility in organic solvents, making it suitable for use as an intermediate in pharmaceuticals, agrochemicals, and flavor formulations. Its well-defined structure and consistent purity ensure reliable performance in specialized chemical processes.
Butanoic acid,(4-methoxyphenyl)methyl ester structure
6963-56-0 structure
Product Name:Butanoic acid,(4-methoxyphenyl)methyl ester
CAS No:6963-56-0
MF:C12H16O3
MW:208.253643989563
MDL:MFCD00027905
CID:503955
PubChem ID:329749040
Update Time:2025-11-07

Butanoic acid,(4-methoxyphenyl)methyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,(4-methoxyphenyl)methyl ester
    • 4-Methoxybenzyl butyrate
    • Anisyl Butyrate
    • 1-butyryloxymethyl-4-methoxy-benzene
    • 1-Butyryloxymethyl-4-methoxy-benzol
    • 4-Methoxybenzyl butanoate
    • Anisylbutyrat
    • Butanoic acid 4-methoxybenzyl ester
    • Butyric acid,p-methoxybenzyl ester
    • FEMA 2100
    • p-Methoxybenzylbutyrate
    • NSC 53797
    • p-Methoxybenzyl butyrate
    • MDL: MFCD00027905
    • Inchi: 1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
    • InChI Key: MEPOOZLETHNMSR-UHFFFAOYSA-N
    • SMILES: CCCC(OCC1C=CC(OC)=CC=1)=O

Computed Properties

  • Exact Mass: 194.09400

Experimental Properties

  • Density: 1.045
  • Boiling Point: 287 oC
  • Flash Point: 116 oC
  • Refractive Index: n20/D1.504
  • PSA: 35.53000
  • LogP: 2.40070
  • FEMA: 2100 | ANISYL BUTYRATE

Butanoic acid,(4-methoxyphenyl)methyl ester Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

Butanoic acid,(4-methoxyphenyl)methyl ester Pricemore >>

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Additional information on Butanoic acid,(4-methoxyphenyl)methyl ester

Butanoic Acid, (4-Methoxyphenyl)methyl Ester (CAS No. 6963-56-0): An Overview of Its Properties, Applications, and Recent Research

Butanoic acid, (4-methoxyphenyl)methyl ester (CAS No. 6963-56-0) is a versatile organic compound with a wide range of applications in the chemical and pharmaceutical industries. This compound is characterized by its unique structure, which combines a butanoic acid moiety with a (4-methoxyphenyl)methyl ester group. This combination endows the compound with specific chemical and physical properties that make it valuable in various scientific and industrial contexts.

Chemical Structure and Properties: The molecular formula of butanoic acid, (4-methoxyphenyl)methyl ester is C12H14O3, and its molecular weight is approximately 206.23 g/mol. The compound is a colorless to pale yellow liquid at room temperature and has a characteristic odor. It is soluble in common organic solvents such as ethanol, acetone, and ethyl acetate but has limited solubility in water. The presence of the methoxy group on the phenyl ring contributes to its stability and reactivity, making it suitable for use in synthetic reactions.

Synthesis and Production: The synthesis of butanoic acid, (4-methoxyphenyl)methyl ester can be achieved through several methods. One common approach involves the esterification of butanoic acid with (4-methoxyphenyl)methanol in the presence of an acid catalyst such as sulfuric acid or p-toluenesulfonic acid. This reaction typically proceeds under mild conditions and yields high purity products. Industrial production methods often optimize these conditions to enhance yield and reduce by-products.

Applications in the Pharmaceutical Industry: In the pharmaceutical sector, butanoic acid, (4-methoxyphenyl)methyl ester finds applications as an intermediate in the synthesis of various drugs and active pharmaceutical ingredients (APIs). Its ability to undergo selective chemical transformations makes it a valuable building block in drug discovery and development processes. Recent research has explored its potential as a precursor for the synthesis of anti-inflammatory agents, antiviral compounds, and other therapeutic molecules.

Research and Development: Ongoing research into the properties and applications of butanoic acid, (4-methoxyphenyl)methyl ester continues to uncover new possibilities. For instance, studies have shown that this compound can serve as a starting material for the synthesis of novel compounds with improved pharmacological profiles. One notable example is its use in the development of prodrugs designed to enhance drug delivery and reduce side effects.

Safety Considerations: While butanoic acid, (4-methoxyphenyl)methyl ester is generally considered safe for use in laboratory settings when proper handling procedures are followed, it is important to adhere to standard safety guidelines. This includes wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Additionally, storage should be in a well-ventilated area away from incompatible materials.

Environmental Impact: The environmental impact of butanoic acid, (4-methoxyphenyl)methyl ester is an important consideration for both manufacturers and users. Efforts are being made to develop more sustainable production methods that minimize waste generation and energy consumption. Green chemistry principles are increasingly being applied to ensure that the compound's production and use align with environmental standards.

Conclusion: In summary, butanoic acid, (4-methoxyphenyl)methyl ester (CAS No. 6963-56-0) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique chemical structure and properties make it an essential component in pharmaceutical research and development. As research continues to advance, it is likely that new applications and uses for this compound will be discovered, further expanding its importance in the field.

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