Cas no 3393-64-4 (4-Hydroxy-3-methyl-2-butanone)

4-Hydroxy-3-methyl-2-butanone (CAS 5077-67-8) is a ketone derivative with a hydroxyl functional group, exhibiting both carbonyl and alcohol reactivity. This compound is a versatile intermediate in organic synthesis, particularly in the production of fragrances, flavors, and pharmaceuticals. Its bifunctional structure allows for selective modifications, making it valuable for constructing complex molecules. The hydroxyl group enhances solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. With a defined stereocenter, it is also useful in chiral synthesis. Its stability under mild conditions and compatibility with common reagents further underscore its utility in fine chemical applications.
4-Hydroxy-3-methyl-2-butanone structure
4-Hydroxy-3-methyl-2-butanone structure
Product Name:4-Hydroxy-3-methyl-2-butanone
CAS No:3393-64-4
MF:C5H10O2
MW:102.131701946259
MDL:MFCD00004739
CID:84729
PubChem ID:18829
Update Time:2025-06-14

4-Hydroxy-3-methyl-2-butanone Chemical and Physical Properties

Names and Identifiers

    • 4-Hydroxy-3-methyl-2-butanone
    • 4-Hydroxy-3-methyl-butan-2-one
    • 4-hydroxy-3-methylbutan-2-one
    • 1-hydroxy 2-methyl but-3-one
    • 1-Hydroxy-2-methyl-3-butanone
    • 2-Acetyl-propylalkohol
    • 2-Butanone,4-hydroxy-3-methyl
    • 4-Hydroxy-3-methyl-butan-2-on
    • VVSRECWZBBJOTG-UHFFFAOYSA
    • MFCD00004739
    • 3393-64-4
    • 2-Butanone, 4-hydroxy-3-methyl-, (+)-
    • SCHEMBL422046
    • 2-Butanone, 4-hydroxy-3-methyl-
    • EN300-7138115
    • 3-(Hydroxymethyl)-2-butanone
    • EINECS 222-238-6
    • AI3-04080
    • NSC 62078
    • FT-0694576
    • VVSRECWZBBJOTG-UHFFFAOYSA-
    • DTXSID80871018
    • SY296786
    • CS-0132490
    • CHEBI:167070
    • NSC62078
    • NSC-62078
    • NS00049948
    • InChI=1/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
    • AS-6244
    • AKOS006227961
    • 4-Hydroxy-3-methyl-2-butanone, 65%, technical grade
    • VVSRECWZBBJOTG-UHFFFAOYSA-N
    • G29751
    • DA-06692
    • MDL： MFCD00004739
    • Inchi： 1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
    • InChI Key： VVSRECWZBBJOTG-UHFFFAOYSA-N
    • SMILES： OCC(C(C)=O)C

Computed Properties

  • Exact Mass: 102.06800
  • Monoisotopic Mass: 102.06808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 68.5
  • 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: 3
  • XLogP3: -0.2
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Yellow liquid
  • Density: 0.993?g/mL?at 25?°C(lit.)
  • Melting Point: 2.5°C (estimate)
  • Boiling Point: 90-95?°C/15?mmHg(lit.)
  • Flash Point: 79?°C
  • Refractive Index: n20/D 1.438(lit.)
  • PSA: 37.30000
  • LogP: 0.20380
  • Sensitiveness: Hygroscopic
  • Solubility: Not determined

4-Hydroxy-3-methyl-2-butanone Security Information

  • Safety Instruction： S24/25
  • Safety Term：S24/25

4-Hydroxy-3-methyl-2-butanone Customs Data

  • HS CODE：2914400090
  • Customs Data：

    China Customs Code:

    2914400090

    Overview:

    2914400090 Other ketone alcohols and ketone aldehydes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914400090 other ketone-alcohols and ketone-aldehydes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

4-Hydroxy-3-methyl-2-butanone Pricemore >>

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abcr
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4-Hydroxy-3-methyl-2-butanone Related Literature

Related Categories

Additional information on 4-Hydroxy-3-methyl-2-butanone

Recent Advances in the Study of 4-Hydroxy-3-methyl-2-butanone (CAS: 3393-64-4) in Chemical Biology and Pharmaceutical Research

4-Hydroxy-3-methyl-2-butanone (CAS: 3393-64-4), also known as 3-methyl-4-hydroxy-2-butanone, is a key intermediate in the synthesis of various bioactive compounds and flavoring agents. Recent studies have highlighted its potential applications in pharmaceutical development, particularly in the design of novel therapeutic agents. This research brief aims to summarize the latest findings related to this compound, focusing on its chemical properties, biological activities, and potential industrial applications.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers explored the role of 4-Hydroxy-3-methyl-2-butanone as a precursor in the synthesis of γ-lactones, which are known for their antimicrobial and anti-inflammatory properties. The study demonstrated that this compound could be efficiently converted into γ-lactones through a series of enzymatic reactions, offering a sustainable alternative to traditional chemical synthesis methods. The findings suggest that 4-Hydroxy-3-methyl-2-butanone could play a pivotal role in the development of new antimicrobial agents.

Another significant advancement was reported in Bioorganic & Medicinal Chemistry Letters, where scientists investigated the compound's potential as a chiral building block for asymmetric synthesis. The study revealed that 4-Hydroxy-3-methyl-2-butanone exhibits high enantioselectivity when used in the synthesis of complex molecules, making it a valuable tool for the production of optically active pharmaceuticals. This property is particularly relevant for the development of drugs with reduced side effects and improved efficacy.

Recent industrial applications of 4-Hydroxy-3-methyl-2-butanone have also been explored. A 2024 report by Chemical & Engineering News highlighted its use in the flavor and fragrance industry, where it serves as a key ingredient in the production of fruity and floral aromas. The report emphasized the compound's low toxicity and high stability, making it an attractive option for large-scale production. Additionally, advancements in biocatalysis have enabled more efficient and environmentally friendly synthesis routes, further enhancing its industrial viability.

In conclusion, 4-Hydroxy-3-methyl-2-butanone (CAS: 3393-64-4) continues to garner attention in both academic and industrial research due to its versatile applications in pharmaceutical synthesis and flavor production. The latest studies underscore its potential as a sustainable and efficient building block for bioactive molecules, paving the way for future innovations in chemical biology and drug development. Further research is warranted to explore its full therapeutic potential and optimize its production processes for commercial use.

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