Ethyl Linoleate - ≥97%(GC) , CAS No.544-35-4

CAS: 544-35-4 Cat. No.: E135184 Formule: C₂₀H₃₆O₂ Poids moléculaire: 308.51 Beilstein Registry Number: 2(4)1757 Numéro CE: 208-868-4

GRADE & PURITY ≥97%(GC)

Synonyms

ETHYL LINOLEATE [MI] | cis-9,cis-12-Octadecadienoic acid ethyl ester | SCHEMBL81540 | SR-01000946817 | L0055 | D01590 | Fmoc-(S)-3-Amino-3-(2-naphthyl)-propionicacid | NSC 50447 | Ethyl (9Z,12Z)-9,12-octadecadienoate # | ethyl linoleate-9,10,12,13-d4 | CH

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Ethyl linoleate can undergo auto-oxidation in the presence of the catalyst manganese(II)acetylacetonate

Specifications

Synonymes

ETHYL LINOLEATE [MI] | cis-9,cis-12-Octadecadienoic acid ethyl ester | SCHEMBL81540 | SR-01000946817 | L0055 | D01590 | Fmoc-(S)-3-Amino-3-(2-naphthyl)-propionicacid | NSC 50447 | Ethyl (9Z,12Z)-9,12-octadecadienoate # | ethyl linoleate-9,10,12,13-d4 | CH

Spécifications et pureté

≥97%(GC)

Mécanismes biochimiques et physiologiques

Ethyl linoleate may be used as a reference material in assays that quantify fatty acid ethyl esters (FAEEs) for detection of alcohol abuse. Linoleic acid ethyl ester (Ethyl linoleate) may be used and studied as an acetylcholinesterase (AChE) inhibitor. Et

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

508812354

Sourires canoniques

CCCCCC=CCC=CCCCCCCCC(=O)OCC

IUPAC Name

ethyl (9Z,12Z)-octadeca-9,12-dienoate

InChIKey

FMMOOAYVCKXGMF-MURFETPASA-N

INCHI

1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-

Isomères SMILES

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

WGK Allemagne

1

RTECS

RG2185000

Poids moléculaire

308.51

Beilstein

2(4)1757

Reaxy-Rn

1727826

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727826&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - 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
• Description: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilité: Light sensitive；Air sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 193°C/6mmHg
• Poids moléculaire: 308.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 308.272 Da
• Monoisotopic Mass: 308.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1