Cas no 2420-36-2 (3-Hydroxyoctadecanoic Acid Methyl Ester)

3-Hydroxyoctadecanoic Acid Methyl Ester is a fatty acid methyl ester derivative characterized by the presence of a hydroxyl group at the 3-position of an 18-carbon chain. This structural feature imparts unique physicochemical properties, making it valuable for applications in organic synthesis, lipid research, and specialty chemical formulations. The compound exhibits moderate polarity due to the hydroxyl group, enhancing its solubility in polar organic solvents. It serves as a versatile intermediate for the preparation of modified lipids, surfactants, and bioactive molecules. Its esterified form improves stability and handling compared to the free acid, facilitating storage and reactivity in synthetic processes. The product is typically synthesized under controlled conditions to ensure high purity and consistency.
3-Hydroxyoctadecanoic Acid Methyl Ester structure
2420-36-2 structure
Product Name:3-Hydroxyoctadecanoic Acid Methyl Ester
CAS No:2420-36-2
MF:C19H38O3
MW:314.50322675705
CID:1060700
PubChem ID:538801
Update Time:2025-10-29

3-Hydroxyoctadecanoic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 3-Hydroxyoctadecanoic Acid Methyl Ester
    • methyl 3-hydroxyoctadecanoate
    • (R)-3-hydroxy octadecanoic acid methyl ester
    • methyl (R)-3-hydroxyoctadecanoate
    • Octadecanoic acid,3-hydroxy-,methyl ester
    • DTXSID10337117
    • SCHEMBL3127385
    • Methyl 3-Hydroxyoctadecanoate, (C18)
    • PD078033
    • 2420-36-2
    • J-008085
    • Methyl 3-Hydroxyoctadecanoate; Methyl DL-3-Hydroxyoctadecanoate;
    • DB-304667
    • AKOS030240075
    • Octadecanoic acid, 3-hydroxy-, methyl ester
    • 14531-40-9
    • XIGHAQIRKIFLFB-UHFFFAOYSA-N
    • Inchi: 1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3
    • InChI Key: XIGHAQIRKIFLFB-UHFFFAOYSA-N
    • SMILES: OC(CC(=O)OC)CCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 314.28200
  • Monoisotopic Mass: 314.28209507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 17
  • Complexity: 241
  • 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
  • XLogP3: 7.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 5.39170

3-Hydroxyoctadecanoic Acid Methyl Ester Customs Data

  • HS CODE:2918199090
  • Customs Data:

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\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:

    2918199090 other carboxylic acids with alcohol 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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3-Hydroxyoctadecanoic Acid Methyl Ester Production Method

Additional information on 3-Hydroxyoctadecanoic Acid Methyl Ester

3-Hydroxyoctadecanoic Acid Methyl Ester: A Comprehensive Overview

3-Hydroxyoctadecanoic Acid Methyl Ester, also known by its CAS number 2420-36-2, is a compound of significant interest in various scientific and industrial applications. This compound, classified as a methyl ester of 3-hydroxyoctadecanoic acid, belongs to the broader category of fatty acid esters. Its structure comprises an 18-carbon chain with a hydroxyl group at the third position and a methyl ester group at the carboxylic acid end. This unique structure contributes to its distinct chemical properties and functional applications.

The compound has garnered attention in recent years due to its potential in the fields of cosmetics, food additives, and biofuels. Researchers have explored its role as an emulsifier and stabilizer in food products, where its ability to form stable emulsions has proven beneficial. In the cosmetics industry, it is valued for its moisturizing properties, making it a popular ingredient in skincare products such as creams and lotions.

Recent studies have highlighted the importance of 3-Hydroxyoctadecanoic Acid Methyl Ester in the production of biofuels. Its long carbon chain makes it a suitable candidate for biodiesel synthesis, where it can be converted into methyl esters through transesterification processes. This aligns with global efforts to develop sustainable energy sources and reduce reliance on fossil fuels.

The synthesis of this compound involves several methods, including enzymatic and chemical approaches. Enzymatic methods, particularly those utilizing lipases, have gained traction due to their high specificity and eco-friendliness. These methods not only enhance the yield but also reduce the environmental footprint compared to traditional chemical synthesis techniques.

In terms of physical properties, 3-Hydroxyoctadecanoic Acid Methyl Ester exhibits a melting point of approximately -15°C and a boiling point around 350°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various chemical reactions and extractions.

The compound's stability under different environmental conditions has been a subject of recent research. Studies indicate that it exhibits good thermal stability up to 250°C, making it suitable for high-temperature applications such as food processing and biofuel production. However, prolonged exposure to light or oxygen can lead to oxidation, necessitating proper storage conditions.

In the context of safety and toxicity, several toxicity studies have been conducted on 3-Hydroxyoctadecanoic Acid Methyl Ester. These studies suggest that it is generally considered safe for use in food and cosmetic applications when used within recommended limits. However, further research is needed to fully understand its long-term effects on human health and the environment.

The global market for fatty acid esters, including compounds like 3-Hydroxyoctadecanoic Acid Methyl Ester, has been growing steadily due to increasing demand from various industries. The cosmetic industry accounts for a significant share of this market, driven by the rising popularity of natural and organic skincare products.

In conclusion, 3-Hydroxyoctadecanoic Acid Methyl Ester, with its unique chemical structure and versatile applications, continues to be a focal point in scientific research and industrial development. As new findings emerge regarding its synthesis methods, applications, and safety profiles, this compound is poised to play an even more prominent role in diverse sectors.

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