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

CAS: 2442-49-1 Cat. No.: M114406 Molecular Weight: 382.66 Beilstein Registry Number: 1797900 EC Number: 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

Overview

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

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

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 232 °C/3.8 mmHg
• Melt Point(°C): 58-60°C
• Molecular Weight: 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