Methyl linoleate - 10mM in DMSO , CAS No.112-63-0

CAS: 112-63-0 Cat. No.: M420658 Fórmula: C₁₉H₃₄O₂ Peso molecular: 294.47 Beilstein Registry Number: 1727610 Número EC: 203-993-0

GRADE & PURITY 10mM in DMSO

Synonyms

(9Z,12Z)-9,12-Octadecadienoic acid methyl ester | EINECS 203-993-0 | L0078 | Methyl (Z,Z)-9,12-octadecadienoate | Q27137420 | Telfairic Acid methyl ester | (9Z,12Z)-Methyl octadeca-9,12-dienoate | (9Z,12Z)methyl octadeca-9,12-dienoate | FEMA NO. 3411, MET

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

It is more easily oxidized than conjugated methyl linoleate. Methyl linoleate may be used as a model compound in oxidation/peroxidation assays to evaluate the anti-peroxidation activity of fullerenes, ellagitannins and other natural products. For instance, the oxidation of methyl linoleate in organic solution and phosphatidylcholine (PC) in liposomal membranes induced by an azo initiator has often been used as a model for lipid peroxidation in vivo.
The oxidation of methyl linoleate in organic solution and phosphatidylcholine (PC) in liposomal membranes induced by an azo initiator has often been used as a model for lipid peroxidation in vivo.

Specifications

Sinónimos

(9Z,12Z)-9,12-Octadecadienoic acid methyl ester | EINECS 203-993-0 | L0078 | Methyl (Z,Z)-9,12-octadecadienoate | Q27137420 | Telfairic Acid methyl ester | (9Z,12Z)-Methyl octadeca-9,12-dienoate | (9Z,12Z)methyl octadeca-9,12-dienoate | FEMA NO. 3411, MET

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Methyl linoleate may be used as a model compound in oxidation/peroxidation assays to evaluate the anti-peroxidation activity of fullerenes, ellagitannins and other natural products.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Pubchem Sid: 528769825
• Sonrisas canónicas: CCCCCC=CCC=CCCCCCCCC(=O)OC
• IUPAC Name: methyl (9Z,12Z)-octadeca-9,12-dienoate
• InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N
• INCHI: 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
• Isómeros SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC
• WGK Alemania: 1
• Peso molecular: 294.47
• Beilstein: 1727610
• Reaxy-Rn: 1727613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727613&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - Fatty acid methyl ester - Fatty acid 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
• Descripción: 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: fatty acid methyl 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

Propiedades químicas y físicas

• Índice de refracción: 1.462
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 192℃/4mmHg
• Punto de fusión (°C): -35°C
• Peso molecular: 294.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 294.256 Da
• Monoisotopic Mass: 294.256 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 279.000
• 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