Methyl heneicosanoate

Base Information

• Chemical Name: Methyl heneicosanoate
• CAS No.: 6064-90-0
• Molecular Formula: C22H44O2
• Molecular Weight: 340.59
• Hs Code.: 2915900090
• European Community (EC) Number: 227-994-0
• UNII: MN4YZ4KTG7
• DSSTox Substance ID: DTXSID70209447
• Nikkaji Number: J117.928D
• Wikidata: Q63391640
• Mol file: 6064-90-0.mol

Synonyms:METHYL HENEICOSANOATE;6064-90-0;Methyl henicosanoate;Methyl henicosaneate;Heneicosanoic acid methyl ester;MethylHeneicosanoate;Heneicosanoic acid, methyl ester;MN4YZ4KTG7;henicosanoic acid methyl ester;EINECS 227-994-0;UNII-MN4YZ4KTG7;Heneicosanoic acid methylester;METHYL N-HENEICOSANOATE;Heneicosanoic acid-methyl ester;SCHEMBL2259208;DTXSID70209447;CHEBI:144356;AKOS015902951;N-HENEICOSANOIC ACID METHYL ESTER;Methyl heneicosanoate, analytical standard;HY-134126;CS-0138228;FT-0635961;A832827;Q63391640;Methyl heneicosanoate, ~99% (capillary GC), crystalline;DD756147-0A3C-49EA-824F-44C57ADEE745;Heneicosanoic acid-methyl ester 10 microg/mL in Acetonitrile

Chemical Property of Methyl heneicosanoate

Chemical Property:

• Appearance/Colour: crystalline
• Vapor Pressure: 3.47E-06mmHg at 25°C
• Melting Point: 48-50 °C(lit.)
• Refractive Index: 1.447
• Boiling Point: 386.7 °C at 760 mmHg
• Flash Point: 191.1 °C
• PSA: 26.30000
• Density: 0.861 g/cm³
• LogP: 7.59120
• Storage Temp.: 2-8°C
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 340.334130642
• Heavy Atom Count: 24
• Complexity: 250

Purity/Quality:

98%,99%, ^*data from raw suppliers

C 21 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)OC
• Description: Heneicosanoic acid methyl ester is an ester form of heneicosanoic acid . It has been used as an internal standard in the quantification of fatty acids in dairy products and fatty acid methyl esters in fish by GC-MS.
• Uses: Methyl Heneicosanoate is a related compound of Heneicosanoic Acid (H245760), a long chain fatty acid used by S.epidermidis for lipopeptide production. Environmental contaminants; food contaminants. Methyl heneicosanoate can find applications as an internal standard in the quantitative determination of fatty acids and their isomers composition using gas chromatography method of analysis (GC).

Technology Process of Methyl heneicosanoate

There total 13 articles about Methyl heneicosanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C29H50N2O4S → methyl heneicosanoate (6064-90-0)

Guidance literature:

C₂₉H₅₀N₂O₄S; With sodium tetrahydroborate; In methanol; dichloromethane; at 0 - 20 ℃;

With sodium hydroxide; In methanol; dichloromethane; water; at 20 ℃; for 24h;

DOI:10.1002/chem.202004946

Reference yield:

methanol (67-56-1) + C48H86O10 → methyl linolenate (301-00-8) + methyl heneicosanoate (6064-90-0)

Guidance literature:

With sulfuric acid; In water; at 80 ℃; for 4h;

DOI:10.1021/jf071331z

Reference yield:

caprinaldehyde (112-31-2) → methyl heneicosanoate (6064-90-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: benzophenone; N-hydroxyphthalimide / 48 h / 25 °C / Inert atmosphere; Sealed tube; Irradiation

2.1: ethanol / 24 h / 20 °C

3.1: sodium tetrahydroborate / dichloromethane; methanol / 0 - 20 °C

3.2: 24 h / 20 °C

With sodium tetrahydroborate; benzophenone; N-hydroxyphthalimide; In methanol; ethanol; dichloromethane;

DOI:10.1002/chem.202004946

upstream raw materials:

methanol

heneicosanoic acid

8-[2-(5-Octyl-thiophen-2-yl)-[1,3]dithiolan-2-yl]-octanoic acid methyl ester

2-octylthiophene

Downstream raw materials:

n-henicosanol

n-eicosanol

methanesulfonic acid icosyl ester

Refernces

• 1、 -. "CERAMIDE DERIVATIVES AS ANTICANCER AGENTS". Page/Page column 21; 24; 25. . Retrieved 2017/02/09.
• 2、 Rao, S. Jagadishwar,Bhalerao, U. T.,Tilak, B. D.. "A New Synthesis of Long Chain Acid Esters and Carbinols". . p. 208 - 211. Retrieved 2007/10/02.