Dihomo-γ-Linolenic Acid methyl ester - ≥98%, 100 mg/mL in ethanol , CAS No.21061-10-9

CAS: 21061-10-9 Cat. No.: D345917 Molecular Weight: 320.51 EC Number: 627-036-5

GRADE & PURITY ≥98%, 100 mg/mL in ethanol

Synonyms

Methyl dihomo-gamma-linolenate | HY-116015 | LQD3YK782Q | cis-8,11,14-Eicosatrienoic acid methyl ester | Dihomo-??-Linolenic acid methyl ester | methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate | Methyl 8,11,14-eicosatrienoate, (Z,Z,Z)- | Methyl eicosa-8,11,14

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dihomo-γ-linolenic acid (DGLA) is a metabolite produced by chain elongation of the essential fatty acid γ-linolenic acid. Methyl DGLA is an esterified version of the free acid which is less water soluble, but more ammenable for the formulation of DGLA-containing diets and dietary supplements.

Specifications

Synonyms

Methyl dihomo-gamma-linolenate | HY-116015 | LQD3YK782Q | cis-8, 11, 14-Eicosatrienoic acid methyl ester | Dihomo-??-Linolenic acid methyl ester | methyl (8Z, 11Z, 14Z)-icosa-8, 11, 14-trienoate | Methyl 8, 11, 14-eicosatrienoate, (Z, Z, Z)- | Methyl eicosa-8, 11, 14

Specifications & Purity

≥98%, 100 mg/mL in ethanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)OC
• IUPAC Name: methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
• InChIKey: QHATYOWJCAQINT-JPFHKJGASA-N
• INCHI: 1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10-,14-13-
• Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
• WGK Germany: 3
• Molecular Weight: 320.51
• Reaxy-Rn: 1798587
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798587&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl 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
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in PBS (pH 7.2) (~0.15 mg/ml), DMSO (~100 mg/ml), and DMF (~100 mg/ml).
• Refractive Index: n20D1.48 (Predicted)
• Flash Point(°F): 57.2 °F
• Flash Point(°C): 14 °C
• Boil Point(°C): 78° C
• Molecular Weight: 320.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 320.272 Da
• Monoisotopic Mass: 320.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1