Ethyl Erucate - ≥95%(GC) , CAS No.37910-77-3

CAS: 37910-77-3 Cat. No.: E156261 Summenformel: C₂₄H₄₆O₂ Molekulargewicht: 366.63

GRADE & PURITY ≥95%(GC)

Synonyms

Ethyl erucate | MFCD00027405 | ethyldocos-13-enoate | 13-Docosenoic acid, ethyl ester, (13Z)- | DTXSID801317743 | UNII-O5A8YB1V2I | 13-Docosenoic acid, ethyl ester, (Z)- | AKOS015839765 | CHEBI:84891 | EINECS 253-712-0 | Ethyl erucate, ~99% (capillary GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

Ethyl erucate | MFCD00027405 | ethyldocos-13-enoate | 13-Docosenoic acid, ethyl ester, (13Z)- | DTXSID801317743 | UNII-O5A8YB1V2I | 13-Docosenoic acid, ethyl ester, (Z)- | AKOS015839765 | CHEBI:84891 | EINECS 253-712-0 | Ethyl erucate, ~99% (capillary GC)

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

488195441

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195441

Kanonisches Lächeln

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC

IUPAC Name

ethyl (Z)-docos-13-enoate

InChIKey

WFZQLUSOXHIVKL-QXMHVHEDSA-N

INCHI

1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-

Isomere SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC

Molekulargewicht

366.63

Reaxy-Rn

1728555

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728555&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: long-chain fatty acid ethyl ester

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.45
• Flammpunkt (°C): 83 °C
• Siedepunkt (°C): 233°C/8.5mmHg
• Molekulargewicht: 366.600 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 366.35 Da
• Monoisotopic Mass: 366.35 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1