Cas no 624-44-2 (2-Hexanone, 5-methyl-,oxime)

2-Hexanone, 5-methyl-, oxime is a chemical compound primarily used as an intermediate in organic synthesis and industrial applications. Its oxime functional group makes it a valuable precursor for the production of amines, nitriles, and other nitrogen-containing derivatives. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its structural properties allow for selective reactivity in condensation and rearrangement reactions, making it useful in fine chemical and pharmaceutical manufacturing. The presence of the methyl group at the 5-position influences its steric and electronic characteristics, enabling tailored reactivity in synthetic pathways. This compound is typically handled with standard laboratory precautions due to its moderate reactivity.
2-Hexanone, 5-methyl-,oxime structure
2-Hexanone, 5-methyl-,oxime structure
Product Name:2-Hexanone, 5-methyl-,oxime
CAS No:624-44-2
MF:C7H15NO
MW:129.200102090836
MDL:MFCD00013934
CID:511075
PubChem ID:87572661
Update Time:2025-10-29

2-Hexanone, 5-methyl-,oxime Chemical and Physical Properties

Names and Identifiers

    • 2-Hexanone, 5-methyl-,oxime
    • 5-METHYL-2-HEXANONE OXIME
    • N-(5-methylhexan-2-ylidene)hydroxylamine
    • 5-methyl-hexan-2-one oxime
    • 5-Methyl-hexan-2-on-oxim
    • Methyl isoamyl ketoxime
    • Methyl-isoamyl-keton-oxim
    • Methyl-isoamylketoxim
    • Isoamyl Methyl Ketoxime
    • 5-Methylhexan-2-one oxime
    • CHEBI:131376
    • NS00022541
    • ZVZUNLVAVHYXNI-UHFFFAOYSA-N
    • CID 12212
    • AKOS017263165
    • DTXSID9060786
    • DB-054167
    • SCHEMBL250665
    • 2-HEXANONE, 5-METHYL-, OXIME
    • (E)-5-methylhexan-2-one oxime
    • N-hydroxy-5-methyl-2-hexanimine
    • 624-44-2
    • MDL: MFCD00013934
    • Inchi: 1S/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3/b8-7+
    • InChI Key: ZVZUNLVAVHYXNI-BQYQJAHWSA-N
    • SMILES: CC(CC/C(=N/O)/C)C

Computed Properties

  • Exact Mass: 129.11500
  • Monoisotopic Mass: 129.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 97.1
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 32.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.89
  • Boiling Point: 239.29°C (rough estimate)
  • Flash Point: 104.126°C
  • Refractive Index: 1.4450 to 1.4480
  • PSA: 32.59000
  • LogP: 2.27270
  • Solubility: Not determined

2-Hexanone, 5-methyl-,oxime Security Information

  • RTECS:MP4025000

2-Hexanone, 5-methyl-,oxime Customs Data

  • HS CODE:2928000090
  • Customs Data:

    China Customs Code:

    2928000090

    Overview:

    2928000090 Other hydrazine(Hydrazine)And chlorhexidine(hydroxylamine)Organic derivatives of.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-Hexanone, 5-methyl-,oxime Pricemore >>

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2-Hexanone, 5-methyl-,oxime Related Literature

Additional information on 2-Hexanone, 5-methyl-,oxime

Introduction to 2-Hexanone, 5-methyl-, oxime (CAS No. 624-44-2)

2-Hexanone, 5-methyl-, oxime (CAS No. 624-44-2) is a versatile compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound, also known as 5-Methyl-2-hexanone oxime, is an oxime derivative of 5-methyl-2-hexanone. The structure of this compound features a six-carbon chain with a methyl group at the fifth position and an oxime functional group attached to the ketone moiety.

The chemical formula of 2-Hexanone, 5-methyl-, oxime is C7H13NO, and it has a molecular weight of approximately 127.18 g/mol. The compound is a colorless liquid at room temperature and is soluble in common organic solvents such as ethanol, acetone, and dichloromethane. Its physical and chemical properties make it suitable for a wide range of synthetic transformations and applications.

In the pharmaceutical industry, 2-Hexanone, 5-methyl-, oxime has gained attention due to its potential as an intermediate in the synthesis of various drugs. Recent studies have explored its role in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of this compound in the synthesis of antiviral agents targeting RNA viruses. The oxime functional group provides a reactive site for further functionalization, enabling the creation of derivatives with enhanced biological activity.

Beyond pharmaceuticals, 2-Hexanone, 5-methyl-, oxime has found applications in agrochemicals. It serves as a key intermediate in the synthesis of pesticides and herbicides. A recent study in the Pest Management Science journal reported the use of this compound in the development of environmentally friendly pesticides that are effective against a broad spectrum of pests while minimizing ecological impact.

In materials science, 2-Hexanone, 5-methyl-, oxime has been utilized in the synthesis of advanced polymers and coatings. The unique properties of this compound make it suitable for creating materials with improved mechanical strength and thermal stability. A study published in the Polymer Journal demonstrated the use of this compound in the development of high-performance polymer composites for aerospace applications.

The synthesis of 2-Hexanone, 5-methyl-, oxime can be achieved through several routes. One common method involves the reaction of 5-methyl-2-hexanone with hydroxylamine under mild conditions. This reaction typically proceeds via nucleophilic addition followed by tautomerization to form the desired oxime product. The choice of solvent and reaction conditions can significantly influence the yield and purity of the final product.

The safety and environmental impact of 2-Hexanone, 5-methyl-, oxime are important considerations for its industrial use. While it is generally considered safe when handled properly, appropriate safety measures should be taken to prevent exposure and ensure environmental protection. Studies have shown that this compound has low toxicity and is biodegradable under aerobic conditions.

In conclusion, 2-Hexanone, 5-methyl-, oxime (CAS No. 624-44-2) is a valuable compound with diverse applications across multiple industries. Its unique chemical structure and properties make it an attractive intermediate for synthetic transformations and product development. Ongoing research continues to uncover new uses and potential benefits of this compound, further solidifying its importance in modern chemistry.

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