Cas no 2380-22-5 (7-Oxooctadecanoic Acid Methyl Ester)

7-Oxooctadecanoic Acid Methyl Ester is a synthetic fatty acid methyl ester characterized by the presence of a ketone functional group at the 7-position of an 18-carbon chain. This compound is primarily utilized in organic synthesis and research applications, serving as a versatile intermediate for the preparation of more complex molecules. Its well-defined structure and reactivity make it suitable for studies involving lipid metabolism, oxidation processes, and the development of specialty chemicals. The methyl ester group enhances solubility in organic solvents, facilitating its use in laboratory-scale reactions. Its stability under standard conditions ensures reliable performance in experimental workflows.
7-Oxooctadecanoic Acid Methyl Ester structure
2380-22-5 structure
Product Name:7-Oxooctadecanoic Acid Methyl Ester
CAS No:2380-22-5
MF:C19H36O3
MW:312.48734664917
CID:250942
PubChem ID:537006
Update Time:2025-11-01

7-Oxooctadecanoic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid,7-oxo-, methyl ester
    • 7-Oxooctadecanoic Acid Methyl Ester
    • 7-Oxooctadecanoic Ac
    • Methyl 7-oxooctadecanoate
    • 7-oxo-octadecanoic acid methyl ester
    • 7-Oxooctadecansaeuremethylester
    • Methyl 7-ketooctadecanate
    • methyl 7-keto-octadecanoate
    • Methyl-7-oxo-octadecanoat
    • Methyl 7-oxooctadecanoate, 97%
    • Methyl 7-oxooctadecanoate,97%
    • QTHPCXRUUSTYCU-UHFFFAOYSA-N
    • Methyl 7-oxooctadecanoate #
    • 2380-22-5
    • Octadecanoic acid, 7-oxo-, methyl ester
    • SCHEMBL6415465
    • FT-0750634
    • DTXSID80336879
    • METHYL7-OXOOCTADECANOATE
    • Methyl 7-Ketooctadecanoate
    • Methyl 7-Ketooctadecanoate; Methyl 7-Oxooctadecanoate;
    • Inchi: 1S/C19H36O3/c1-3-4-5-6-7-8-9-10-12-15-18(20)16-13-11-14-17-19(21)22-2/h3-17H2,1-2H3
    • InChI Key: QTHPCXRUUSTYCU-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCC(=O)OC)CCCCCCCCCCC

Computed Properties

  • Exact Mass: 312.26600
  • Monoisotopic Mass: 312.26644501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 17
  • Complexity: 274
  • 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
  • Topological Polar Surface Area: 43.4?2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 6.1

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 50-52?°C(lit.)
  • Flash Point: >230?°F
  • PSA: 43.37000
  • LogP: 5.59990
  • Solubility: Not determined

7-Oxooctadecanoic Acid Methyl Ester Security Information

  • WGK Germany:3

7-Oxooctadecanoic Acid Methyl Ester Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Additional information on 7-Oxooctadecanoic Acid Methyl Ester

Professional Introduction to 7-Oxooctadecanoic Acid Methyl Ester (CAS No. 2380-22-5)

7-Oxooctadecanoic Acid Methyl Ester, with the chemical name 7-Oxooctadecanoic Acid Methyl Ester, is a compound of significant interest in the field of chemical and biomedical research. This compound, identified by its CAS number CAS No. 2380-22-5, has garnered attention due to its unique structural properties and potential applications in various scientific domains. The compound belongs to the class of carboxylic acid esters, which are widely studied for their diverse biological activities and industrial uses.

The molecular structure of 7-Oxooctadecanoic Acid Methyl Ester consists of an octadecane backbone with a carboxylic acid group esterified with a methyl group at the seventh carbon position. This specific arrangement imparts unique chemical and biological properties to the compound, making it a valuable candidate for further investigation. The presence of the ketone group at the seventh carbon adds to its reactivity, enabling it to participate in various chemical transformations and biological interactions.

In recent years, there has been growing interest in the potential applications of carboxylic acid esters in drug development and biochemistry. 7-Oxooctadecanoic Acid Methyl Ester, in particular, has been explored for its possible role in modulating cellular processes and signaling pathways. Research has indicated that this compound may have therapeutic potential in areas such as anti-inflammatory and anti-tumor applications. The ability of the compound to interact with biological targets suggests its utility in developing novel pharmacological agents.

One of the most compelling aspects of 7-Oxooctadecanoic Acid Methyl Ester is its role in lipid metabolism and membrane dynamics. Studies have shown that carboxylic acid esters can influence the fluidity and permeability of cell membranes, which is crucial for maintaining cellular homeostasis. The specific structure of 7-Oxooctadecanoic Acid Methyl Ester allows it to interact with lipid bilayers, potentially affecting processes such as signal transduction and nutrient transport. These interactions are particularly relevant in understanding diseases related to lipid metabolism disorders.

The compound has also been investigated for its potential role in environmental science and industrial applications. Its stability under various conditions makes it a suitable candidate for use in formulations that require long-term storage or exposure to harsh environments. Additionally, the reactivity of the ketone group at the seventh carbon position allows for further functionalization, enabling the synthesis of more complex derivatives with tailored properties.

Recent advancements in analytical chemistry have provided new tools for studying compounds like 7-Oxooctadecanoic Acid Methyl Ester. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) have enabled researchers to obtain detailed structural information and understand their interactions at a molecular level. These techniques have been instrumental in elucidating the mechanism of action of this compound and identifying potential therapeutic targets.

The synthesis of 7-Oxooctadecanoic Acid Methyl Ester has also seen significant advancements, with new methodologies being developed to improve yield and purity. Catalytic processes have been particularly effective in enhancing the efficiency of esterification reactions, reducing unwanted byproducts and improving overall reaction kinetics. These advancements not only facilitate research but also make large-scale production more feasible, opening up possibilities for commercial applications.

In conclusion, 7-Oxooctadecanoic Acid Methyl Ester (CAS No. 2380-22-5) is a multifaceted compound with potential applications across various scientific disciplines. Its unique structural properties and interactions with biological systems make it a promising candidate for drug development, lipid metabolism research, and industrial applications. With ongoing research and advancements in synthetic methodologies, this compound is poised to play a significant role in future scientific endeavors.

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