Cas no 2445-69-4 (2-Methylbutyl isobutyrate)

2-Methylbutyl isobutyrate structure
2-Methylbutyl isobutyrate structure
Product Name:2-Methylbutyl isobutyrate
CAS No:2445-69-4
MF:C9H18O2
MW:158.238023281097
CID:42981
Update Time:2026-05-14

2-Methylbutyl isobutyrate Chemical and Physical Properties

Names and Identifiers

    • 2-Methylbutyl isobutyrate
    • Isobutyric acid 2-methylbutyl ester
    • Isoamyl isobutyrate
    • 2-METHYL BUTYL ISOBUTYRATE, NATURAL FEMA NO.3507
    • 2-methylbutyl 2-methylpropanoate
    • METHYL-2-BUTYL-ISO-BUTYRATE
    • 2-Methylbutyl 2-methylpropionate
    • 2-methyl-propanoic acid,2-methylbutyl ester
    • Propanoic acid,2-methyl-,2-methylbutyl ester
    • Inchi: InChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
    • InChI Key: DUAXUBMIVRZGCO-UHFFFAOYSA-N
    • SMILES: C(OCC(C)CC)(=O)C(C)C

Computed Properties

  • Exact Mass: 158.13100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 119
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8

Experimental Properties

  • Density: 0.8809 (estimate)
  • Melting Point: -73°C (estimate)
  • Boiling Point: 183.34°C (estimate)
  • Refractive Index: 1.3845 (estimate)
  • PSA: 26.30000
  • LogP: 2.37580
  • FEMA: 3507

2-Methylbutyl isobutyrate Customs Data

  • HS CODE:2915600000
  • Customs Data:

    China Customs Code:

    2915600000

    Overview:

    HS:2915600000 butyrate\Valeric acid, its salts and esters VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-Methylbutyl isobutyrate Pricemore >>

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2-Methylbutyl isobutyrate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:2445-69-4)2-Methylbutyl isobutyrate
Order Number:A1028077
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:36
Price ($):363.0

Additional information on 2-Methylbutyl isobutyrate

Recent Advances in the Study of 2-Methylbutyl Isobutyrate (CAS: 2445-69-4) in Chemical Biology and Pharmaceutical Research

2-Methylbutyl isobutyrate (CAS: 2445-69-4) is a volatile ester compound that has garnered significant attention in recent years due to its diverse applications in the chemical, biological, and pharmaceutical fields. This compound, characterized by its fruity aroma, is not only used as a flavoring agent but also exhibits potential pharmacological properties. Recent studies have explored its role in drug formulation, antimicrobial activity, and even as a biomarker in metabolic studies. This research brief aims to synthesize the latest findings on 2-Methylbutyl isobutyrate, providing a comprehensive overview of its current applications and future prospects.

One of the most notable advancements in the study of 2-Methylbutyl isobutyrate is its potential as an antimicrobial agent. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits significant inhibitory effects against a range of Gram-positive and Gram-negative bacteria, including Staphylococcus aureus and Escherichia coli. The researchers attributed this activity to the compound's ability to disrupt bacterial cell membranes, suggesting its potential as a novel antibiotic scaffold. Further in vivo studies are underway to evaluate its efficacy and safety in clinical settings.

In addition to its antimicrobial properties, 2-Methylbutyl isobutyrate has been investigated for its role in drug delivery systems. A recent study in the International Journal of Pharmaceutics highlighted its use as a permeation enhancer in transdermal drug delivery. The study found that the compound significantly improved the absorption of hydrophobic drugs through the skin, making it a promising candidate for enhancing the bioavailability of topical formulations. This finding opens new avenues for the development of more effective transdermal therapies.

Another emerging area of research involves the use of 2-Methylbutyl isobutyrate as a biomarker in metabolic disorders. A 2024 study published in Metabolomics identified this compound as a potential indicator of metabolic dysregulation in patients with type 2 diabetes. The study utilized advanced mass spectrometry techniques to correlate elevated levels of 2-Methylbutyl isobutyrate with insulin resistance, suggesting its utility in early diagnosis and monitoring of metabolic diseases. This discovery could pave the way for non-invasive diagnostic tools.

Despite these promising findings, challenges remain in the large-scale production and application of 2-Methylbutyl isobutyrate. Current synthetic methods often yield low quantities, and the compound's stability under various conditions needs further investigation. However, recent advances in biocatalysis and green chemistry offer potential solutions. For instance, a 2023 study in Biotechnology Advances reported the use of engineered enzymes to produce 2-Methylbutyl isobutyrate with higher efficiency and sustainability, addressing some of these limitations.

In conclusion, 2-Methylbutyl isobutyrate (CAS: 2445-69-4) represents a versatile compound with significant potential in chemical biology and pharmaceutical research. Its antimicrobial activity, role in drug delivery, and utility as a metabolic biomarker highlight its multifaceted applications. Future research should focus on optimizing production methods, exploring its mechanistic pathways, and translating these findings into clinical applications. As the scientific community continues to uncover its potential, 2-Methylbutyl isobutyrate is poised to play a pivotal role in advancing both basic and applied research in the life sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2445-69-4)2-Methylbutyl isobutyrate
A1028077
Purity:99%
Quantity:100g
Price ($):363.0
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