Cas no 625-34-3 (3-oxobutanal)

3-oxobutanal structure
3-oxobutanal structure
Product Name:3-oxobutanal
CAS No:625-34-3
MF:C4H6O2
MW:86.0892415046692
CID:82804
PubChem ID:4686860
Update Time:2025-10-29

3-oxobutanal Chemical and Physical Properties

Names and Identifiers

    • acetoacetaldehyde
    • 3-ketobutyraldehyde
    • 3-oxoButanal
    • .1,3-butandione
    • .1,3-butanedione
    • .acetic formic anhydride
    • .butan-1-al-3-one
    • acetylacetaldehyde
    • DTXSID50902404
    • PKQIDSVLSKFZQC-UHFFFAOYSA-N
    • FT-0700946
    • 3-oxobutyraldehyde
    • formylacetone
    • AKOS012038961
    • Butanal, 3-oxo-
    • 625-34-3
    • 3-oxobutanal
    • Inchi: 1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3
    • InChI Key: PKQIDSVLSKFZQC-UHFFFAOYSA-N
    • SMILES: O=C(C)CC=O

Computed Properties

  • Exact Mass: 86.03680
  • Monoisotopic Mass: 86.036779
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 71.5
  • 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
  • XLogP3: _1.3
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Density: 0.967
  • Melting Point: -1.2 deg C
  • Boiling Point: 129.7°C at 760 mmHg
  • Flash Point: 39.1°C
  • Refractive Index: 1.383
  • PSA: 34.14000
  • LogP: 0.16440

3-oxobutanal 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%

3-oxobutanal Pricemore >>

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3-oxobutanal Production Method

3-oxobutanal Related Literature

Additional information on 3-oxobutanal

3-Oxobutanal (CAS No. 625-34-3): Properties, Applications, and Market Insights

3-Oxobutanal, also known as acetoacetaldehyde (CAS No. 625-34-3), is a versatile organic compound with significant applications in chemical synthesis and industrial processes. This article delves into its chemical properties, diverse uses, and emerging trends in research and development.

The molecular formula of 3-oxobutanal is C4H6O2, featuring both aldehyde and ketone functional groups. This unique structure makes it valuable as a building block in organic synthesis, particularly for heterocyclic compounds. Recent studies highlight its role in pharmaceutical intermediates, with growing interest in sustainable production methods.

In the pharmaceutical industry, 3-oxobutanal CAS 625-34-3 serves as a precursor for various active ingredients. Researchers are exploring its potential in developing novel antimicrobial agents and anti-inflammatory drugs, responding to the global demand for new therapeutic solutions. The compound's reactivity allows for efficient modifications, making it attractive for drug discovery programs.

The flavor and fragrance industry utilizes acetoacetaldehyde 625-34-3 as a key component in creating complex aroma profiles. Its ability to participate in Maillard reactions contributes to the development of food flavor enhancers, particularly in baked goods and processed foods. With consumers increasingly seeking natural flavor alternatives, modified derivatives of this compound are gaining attention.

From a technical perspective, 3-oxobutanal synthesis typically involves the oxidation of corresponding alcohols or controlled aldol condensation reactions. Recent advancements focus on green chemistry approaches, including biocatalytic methods and solvent-free processes, aligning with the industry's shift toward sustainable chemical production.

Market analysis indicates steady growth for 3-oxobutanal applications, driven by expanding pharmaceutical and specialty chemical sectors. The Asia-Pacific region shows particular promise, with increasing investments in fine chemical manufacturing. Quality specifications for CAS 625-34-3 typically require ≥95% purity, with strict control of residual solvents and byproducts.

Storage and handling of 3-oxobutanal require attention to its sensitivity to light and air. Best practices recommend inert atmosphere storage at controlled temperatures, with proper ventilation in working areas. These precautions ensure product stability and worker safety while maintaining the compound's reactivity for subsequent transformations.

Analytical characterization of acetoacetaldehyde 625-34-3 employs standard techniques including GC-MS, HPLC, and NMR spectroscopy. Recent publications highlight improved analytical methods for trace impurity detection, crucial for meeting stringent pharmaceutical-grade standards. These advancements support quality control in commercial production.

Emerging research explores novel derivatives of 3-oxobutanal for advanced materials applications. Scientists are investigating its incorporation into functional polymers and coordination complexes, potentially opening new markets in specialty materials. The compound's bifunctional nature allows for diverse structural modifications to achieve desired material properties.

Environmental considerations for 3-oxobutanal production focus on waste minimization and energy efficiency. Modern facilities implement closed-loop systems to recover solvents and byproducts, reducing the environmental footprint. Life cycle assessment studies help optimize processes while meeting regulatory requirements for chemical manufacturing.

In conclusion, 3-oxobutanal (CAS No. 625-34-3) remains an important specialty chemical with expanding applications across multiple industries. Its unique chemical properties continue to inspire innovation in organic synthesis, pharmaceutical development, and material science. As research advances and market demands evolve, this versatile compound will likely see growing utilization in cutting-edge technologies and sustainable chemistry initiatives.

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