Methyl linolelaidate - ≥99%(GC), liquid , CAS No.2566-97-4

CAS: 2566-97-4 Cat. No.: M432464 Summenformel: C₁₉H₃₄O₂ Molekulargewicht: 294.47 Beilstein Registry Number: 1727615 EG-Nummer: 219-901-7

GRADE & PURITY ≥99%(GC), liquid

Synonyms

Linolelaidic acid methyl ester | Linolelaidic acid, methyl ester | Methyl (9E,12E)-octadeca-9,12-dienoate | Methyl linolelaidate | (9E,12E)-Methyl octadeca-9,12-dienoate | Linoelaidic acid methyl ester | trans,trans-9,12-Octadecadienoic Acid Methyl Ester

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Linolelaidic acid methyl ester | Linolelaidic acid, methyl ester | Methyl (9E,12E)-octadeca-9,12-dienoate | Methyl linolelaidate | (9E,12E)-Methyl octadeca-9,12-dienoate | Linoelaidic acid methyl ester | trans,trans-9,12-Octadecadienoic Acid Methyl Ester

Spezifikationen & Reinheit

≥99%(GC), liquid

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%(GC)

Namen und Kennungen

Pubchem Sid

528770558

Kanonisches Lächeln

CCCCCC=CCC=CCCCCCCCC(=O)OC

IUPAC Name

methyl (9E,12E)-octadeca-9,12-dienoate

InChIKey

WTTJVINHCBCLGX-ZDVGBALWSA-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+

Isomere SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC

WGK Deutschland

1

Molekulargewicht

294.47

Beilstein

1727615

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
    • Klasse Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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: Not available

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: light & heat & air sensitive
• Flammpunkt (°F): -1 °C
• Flammpunkt (°C): -1°C
• Molekulargewicht: 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