Ethyl Linoleate - technical grade, ≥65% , CAS No.544-35-4

CAS: 544-35-4 Cat. No.: E136660 Molecular Weight: 308.51 Beilstein Registry Number: 2(4)1757 EC Number: 208-868-4

GRADE & PURITY Technical grade, ≥65%

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

Protected from light,Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

technical grade, ≥65%

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Room temperature

Shipped In

Normal

Grade

Technical grade

Purity

≥65%

Names and Identifiers

• Pubchem Sid: 488195253
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195253
• Canonical Smiles: 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-
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
• WGK Germany: 1
• RTECS: RG2185000
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Lineolic acids and derivatives

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.46
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 193°C/6mmHg
• Molecular Weight: 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

References

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