Cas no 4371-64-6 (Propanedioic acid,2-hexadecyl-)

Propanedioic acid, 2-hexadecyl-, is a synthetic fatty acid ester characterized by its linear alkyl chain and dicarboxylic acid functionality. This compound offers several key advantages, including high thermal stability, resistance to hydrolysis, and compatibility with various organic solvents. Its unique structure makes it suitable for applications in pharmaceuticals, coatings, and as a surfactant in formulations.
Propanedioic acid,2-hexadecyl- structure
4371-64-6 structure
Product Name:Propanedioic acid,2-hexadecyl-
CAS No:4371-64-6
MF:C19H36O4
MW:328.486746788025
MDL:MFCD00014346
CID:330077
PubChem ID:78079
Update Time:2025-07-23

Propanedioic acid,2-hexadecyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-hexadecyl-
    • N-HEXADECYLMALONIC ACID
    • 2-HEXADECYL-MALONIC ACID
    • HEXADECYLMALONIC ACID
    • Cetylmalonic acid
    • 1,1-HEPTADECANEDICARBOXYLICACID
    • Hexadecylpropanedioic acid
    • 2-cetylmalonic acid
    • 2-hexadecylpropanedioic acid
    • Carboxystearic acid
    • Hexadecyl-malonsaeure
    • hexadecyl-propanedioic acid
    • Malonic acid,hexadecyl
    • Propanedioic acid,hexadecyl
    • 3CE3FHH4U7
    • A826408
    • NSC 74095
    • Malonic acid, hexadecyl-
    • PROPANEDIOIC ACID, 2-HEXADECYL-
    • 4371-64-6
    • NSC74095
    • FT-0626969
    • 1,1-Heptadecanedicarboxylic acid
    • NCIOpen2_008778
    • NS00031360
    • DTXSID50195915
    • SCHEMBL144422
    • NSC-74095
    • HEXADECYL PROPANEDIOIC ACID
    • UNII-3CE3FHH4U7
    • EINECS 224-466-1
    • Propanedioic acid, hexadecyl-
    • 2-Hexadecylmalonic acid
    • MDL: MFCD00014346
    • Inchi: 1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(22)23/h17H,2-16H2,1H3,(H,20,21)(H,22,23)
    • InChI Key: MVDKKZZVTWHVMC-UHFFFAOYSA-N
    • SMILES: OC(C(C(=O)O)CCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 328.26100
  • Monoisotopic Mass: 328.26135963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 288
  • 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
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.60000
  • LogP: 5.64320

Propanedioic acid,2-hexadecyl- Security Information

Propanedioic acid,2-hexadecyl- Customs Data

  • HS CODE:2917190090
  • Customs Data:

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic acids. 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Propanedioic acid,2-hexadecyl- Pricemore >>

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Propanedioic acid,2-hexadecyl- Related Literature

Additional information on Propanedioic acid,2-hexadecyl-

Propanedioic acid, 2-hexadecyl- (CAS No. 4371-64-6): A Comprehensive Overview

Propanedioic acid, 2-hexadecyl- (CAS No. 4371-64-6) is a specialized organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceuticals due to its unique properties and potential applications. This compound, also known as 2-hexadecylmalonic acid, is a derivative of malonic acid with a long-chain alkyl group attached to one of the carboxylic acid functionalities. This structural feature imparts distinct chemical and physical characteristics that make it valuable for various research and industrial purposes.

The molecular formula of Propanedioic acid, 2-hexadecyl- is C19H36O4, and its molecular weight is approximately 332.47 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol and methanol. Its solubility in water is limited, which can be advantageous in certain applications where controlled solubility is required.

In recent years, Propanedioic acid, 2-hexadecyl- has been the subject of numerous studies due to its potential in various scientific and industrial fields. One of the key areas of interest is its use as an intermediate in the synthesis of more complex molecules. The presence of the long-chain alkyl group provides a versatile platform for further chemical modifications, making it a valuable starting material in organic synthesis.

Research has also explored the biological activities of Propanedioic acid, 2-hexadecyl-. Studies have shown that this compound exhibits anti-inflammatory properties, which could have implications for the development of new therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that derivatives of Propanedioic acid, 2-hexadecyl- demonstrated significant anti-inflammatory effects in vitro, suggesting their potential as lead compounds for drug discovery.

Beyond its biological applications, Propanedioic acid, 2-hexadecyl- has found use in materials science. Its unique structure makes it suitable for the preparation of surfactants and emulsifiers, which are essential components in various formulations such as cosmetics and personal care products. The long alkyl chain provides excellent hydrophobic properties, while the carboxylic acid groups offer hydrophilic characteristics, making it an effective amphiphilic molecule.

In the pharmaceutical industry, Propanedioic acid, 2-hexadecyl- has been investigated for its potential as a drug delivery vehicle. The compound's ability to form stable micelles or vesicles can enhance the solubility and bioavailability of poorly soluble drugs. This property is particularly important for improving the therapeutic efficacy of hydrophobic drugs that are otherwise difficult to administer.

The environmental impact of Propanedioic acid, 2-hexadecyl- has also been a topic of interest. Studies have shown that it biodegrades relatively quickly under aerobic conditions, reducing its potential for environmental accumulation. This characteristic makes it a more environmentally friendly option compared to some other surfactants and emulsifiers that are more persistent in nature.

In conclusion, Propanedioic acid, 2-hexadecyl- (CAS No. 4371-64-6) is a versatile compound with a wide range of applications in chemistry, biology, and pharmaceuticals. Its unique structure and properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new uses and benefits, this compound is likely to play an increasingly important role in various scientific and industrial fields.

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