Cas no 7439-44-3 (13-Docosenoic acid,methyl ester, (13E)-)

13-Docosenoic acid, methyl ester, (13E)-, is a monounsaturated fatty acid methyl ester with the molecular formula C??H??O?. This compound, also known as methyl erucate, is characterized by its trans-configuration (E) at the 13-position double bond. It is commonly used as a reagent in organic synthesis, particularly in the production of surfactants, lubricants, and bio-based polymers. Its long hydrocarbon chain and ester functionality make it a valuable intermediate for modifying physicochemical properties in industrial applications. The compound exhibits stability under standard conditions and is soluble in organic solvents, facilitating its use in laboratory and industrial processes. Its well-defined structure ensures consistent performance in specialized chemical formulations.
13-Docosenoic acid,methyl ester, (13E)- structure
7439-44-3 structure
Product Name:13-Docosenoic acid,methyl ester, (13E)-
CAS No:7439-44-3
MF:C23H44O2
MW:352.594267845154
CID:562610
PubChem ID:5363109
Update Time:2025-05-20

13-Docosenoic acid,methyl ester, (13E)- Chemical and Physical Properties

Names and Identifiers

    • 13-Docosenoic acid,methyl ester, (13E)-
    • Methyl 13-trans-docosenoate
    • Methyl trans-13-docosenoate
    • Methyl 13-trans-docosenoate1000μg
    • trans-13-Docosenoic Acidmethyl ester
    • DTXSID701310475
    • Pyrazolo[1,5-a]pyridine-3-carboxylicacidhydrazide
    • 13-Docosenoic acid,methyl ester,(13E)-
    • BRASSIDIC ACID METHYL ESTER
    • methyl (E)-docos-13-enoate
    • 7439-44-3
    • AKOS015904081
    • 13-Docosenoic acid, methyl ester, E
    • Q63396635
    • 13-Docosenoic acid, methyl ester
    • methyl brassidate
    • Methyl (13E)-13-docosenoate
    • SCHEMBL2276763
    • (E)-13-Docosenoic acid-methyl ester
    • Methyl 13-docosenoate
    • (E)-methyl docos-13-enoate
    • 13-Docosenoic acid methyl ester
    • ZYNDJIBBPLNPOW-ZHACJKMWSA-N
    • LS-15027
    • 13-Docosenoic acid, methyl ester, (E)- (8CI); Methyl (13E)-13-docosenoate (ACI); Methyl brassidate; Methyl trans-13-docosenoate; 13-Docosenoic acid, methyl ester, (13E)- (9CI, ACI); (E)-13-Docosenoic Acid-methyl Ester
    • SCHEMBL863516
    • CHEBI:144325
    • 56630-69-4
    • DB-255130
    • Inchi： 1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10+
    • InChI Key： ZYNDJIBBPLNPOW-ZHACJKMWSA-N
    • SMILES： O(C)C(CCCCCCCCCCC/C=C/CCCCCCCC)=O

Computed Properties

  • Exact Mass: 352.33400
  • Monoisotopic Mass: 352.334130642g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 20
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.869
  • Melting Point: Not available
  • Boiling Point: 422.9°C at 760 mmHg
  • Flash Point: 84.6°C
  • Refractive Index: 1.457
  • PSA: 26.30000
  • LogP: 7.75730
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

13-Docosenoic acid,methyl ester, (13E)- Security Information

13-Docosenoic acid,methyl ester, (13E)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Larodan
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13-Docosenoic acid,methyl ester, (13E)- Related Literature

Related Categories

Additional information on 13-Docosenoic acid,methyl ester, (13E)-

13-Docosenoic Acid, Methyl Ester, (13E)-

The compound 13-Docosenoic acid, methyl ester, (13E)- (CAS No. 7439-44-3) is a significant molecule in the field of lipid chemistry and biochemistry. This compound is a methyl ester derivative of 13-docosenoic acid, which belongs to the class of unsaturated fatty acids. The (13E)- configuration indicates the presence of a double bond at the 13th position in the carbon chain, with the double bond adopting the trans configuration. This structural feature plays a crucial role in determining the physical and chemical properties of the compound.

Recent studies have highlighted the importance of unsaturated fatty acids like 13-docosenoic acid in various biological systems. These compounds are known to exhibit anti-inflammatory properties and may play a role in modulating cellular signaling pathways. The methyl ester form of this acid is particularly interesting due to its potential applications in food science and cosmetics. For instance, methyl esters are often used as emulsifiers and stabilizers in food products, enhancing their shelf life and sensory properties.

In terms of synthesis, 13-Docosenoic acid, methyl ester, (13E)- can be derived from natural sources such as marine lipids or through chemical synthesis. Advances in biotechnology have enabled the production of this compound using microbial fermentation, which offers a sustainable alternative to traditional extraction methods. This approach not only reduces environmental impact but also ensures a consistent supply of high-quality product.

From an analytical perspective, the characterization of 13-Docosenoic acid, methyl ester, (13E)- involves techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy. These methods allow for precise determination of the compound's molecular structure and purity. Recent advancements in analytical chemistry have further improved the accuracy and sensitivity of these techniques, enabling researchers to study this compound at trace levels.

The application of unsaturated fatty acids in nutraceuticals has gained significant attention due to their potential health benefits. For example, 13-docosenoic acid has been shown to possess antioxidant properties, which can help combat oxidative stress in biological systems. The methyl ester form may enhance bioavailability, making it a promising candidate for dietary supplements.

In conclusion, 13-Docosenoic acid, methyl ester, (13E)- is a versatile compound with diverse applications across multiple industries. Its unique chemical structure and functional properties make it an invaluable component in lipid research and product development. As scientific understanding continues to evolve, this compound is likely to find new uses in fields ranging from healthcare to environmental science.

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