Methyl tetracosanoate - analytical standard , CAS No.2442-49-1

CAS: 2442-49-1 Cat. No.: M114406 Peso molecular: 382.66 Beilstein Registry Number: 1797900 Número EC: 219-475-2

GRADE & PURITY Analytical standard

Synonyms

Methyl tetracosanoate | XUDJZDNUVZHSKZ-UHFFFAOYSA-N | CHEBI:143590 | CAA44249 | SCHEMBL863540 | Lignoceric acid methyl ester | T72146 | Formamide, N-(4-(5-nitro-2-furanyl)-2-thiazolyl)- | Tetracosanoic acid-methyl ester | AKOS015903349 | Q24762827 | 2-eth

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Methyl tetracosanoate may be used as an external standard to study the pentafluorobenzylation reaction of estradiol in a biphasic methylene chloride/sodium hydroxide system and in the absence of phase transfer agents by gas chromatography technique (GC). Methyl tetracosanoate may be used as an analytical reference standard for the determination of the analyte in biodiesel produced from yellow horn oil using high-performance liquid chromatography technique.

Specifications

Sinónimos

Methyl tetracosanoate | XUDJZDNUVZHSKZ-UHFFFAOYSA-N | CHEBI:143590 | CAA44249 | SCHEMBL863540 | Lignoceric acid methyl ester | T72146 | Formamide, N-(4-(5-nitro-2-furanyl)-2-thiazolyl)- | Tetracosanoic acid-methyl ester | AKOS015903349 | Q24762827 | 2-eth

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• IUPAC Name: methyl tetracosanoate
• InChIKey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
• INCHI: 1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• WGK Alemania: 1
• Peso molecular: 382.66
• Beilstein: 1797900
• Reaxy-Rn: 1797895
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1797895&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de ebullición (°C): 232 °C/3.8 mmHg
• Punto de fusión (°C): 58-60°C
• Peso molecular: 382.700 g/mol
• XLogP3: 12.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 382.381 Da
• Monoisotopic Mass: 382.381 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 288.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1