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

CAS: 37910-77-3 Cat. No.: E156261 분자식: C₂₄H₄₆O₂ 분자량: 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

동의어

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)

사양 및 순도

≥95%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

488195441

Pubchem Sid Url

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

정식 스마일

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-

이성체 SMILES

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

분자량

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
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: air sensitive
• 굴절률: 1.45
• 발화점(°C): 83 °C
• 끓는점(°C): 233°C/8.5mmHg
• 분자량: 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