Methyl nonadecanoate

Base Information

• Chemical Name: Methyl nonadecanoate
• CAS No.: 1731-94-8
• Molecular Formula: C20H40O2
• Molecular Weight: 312.536
• Hs Code.: 29159000
• European Community (EC) Number: 217-056-9
• UNII: 67FQ8VV2L3
• DSSTox Substance ID: DTXSID40169524
• Nikkaji Number: J575D
• Wikidata: Q27159902
• Mol file: 1731-94-8.mol

Synonyms:METHYL NONADECANOATE;1731-94-8;Methyl nonadecan-1-oate;Nonadecanoic acid methyl ester;Nonadecanoic acid, methyl ester;methylnonadecanoate;n-Nonadecanoic acid methyl ester;UNII-67FQ8VV2L3;Nonadecanoic acid-methyl ester;67FQ8VV2L3;EINECS 217-056-9;AI3-36454;MFCD00009011;Nonadecanoic acid methyl;Nonadecanoic acid,methyl ester;SCHEMBL109331;CHEBI:87758;DTXSID40169524;BAA73194;Methyl nonadecanoate, >=98% (GC);s5833;AKOS015903908;CS-W004262;HY-W004262;Methyl nonadecanoate, analytical standard;FT-0633802;N0460;H10860;Methyl nonadecanoate, puriss., >=98.5% (GC);J-010888;Q27159902;A25CCD7A-EA11-4124-B88C-A168A5582F47

Chemical Property of Methyl nonadecanoate

Chemical Property:

• Vapor Pressure: 1.88E-05mmHg at 25°C
• Melting Point: 37-40 °C(lit.)
• Refractive Index: 1.445
• Boiling Point: 362.8 °C at 760 mmHg
• Flash Point: 176.9 °C
• PSA: 26.30000
• Density: 0.862 g/cm³
• LogP: 6.81100
• Storage Temp.: −20°C
• Solubility.: almost transparency in Ethylacetate
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.302830514
• Heavy Atom Count: 22
• Complexity: 226

Purity/Quality:

98%, ^*data from raw suppliers

Methyl Nonadecanoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
• Description: Nonadecanoic acid methyl ester is an esterified version of the free acid which is less water soluble but more amenable for the formulation of nonadecanoate-containing diets and dietary supplements. Nonadecanoic acid is a 19-carbon saturated fatty acid that is found in fats and vegetable oils. It has been shown to inhibit HL-60 cancer cell proliferation with an IC50 value of 68 μM.
• Uses: Methyl Nonadecanoate displays antisickling activity which may be used in the treatment of sickle cell anemia. Intermediate in organic synthesis, medicalresearch. Methyl nonadecanoate may be used as an internal standard to study the mechanism of anti-oxidation effect of ginseng extract using gas chromatography coupled with electron spin resonance spectrophotometry. Methyl nonadecanoate may also be used as an internal standard to investigate the separation of molecular species of triacylglycerols using high-performance liquid chromatography in silver ion mode.

Technology Process of Methyl nonadecanoate

There total 9 articles about Methyl nonadecanoate 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:

methanol (67-56-1) + 1-octadecanoyl-2-nonadecanoyl-3-O-(6-amino-6-deoxy)-β-D-glucopyranosyl-sn-glycerol → Methyl stearate (112-61-8) + nonadecanoic acid methyl ester (1731-94-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + methyl 6-deoxy-6-tert-butoxycarbonylamino-β-D-glucopyranoside (68396-86-1,496811-81-5)

Guidance literature:

With hydrogenchloride; for 10h; Reflux;

DOI:10.1016/j.fitote.2012.01.008

Reference yield:

methanol (67-56-1) + 3-nonadecanoyl-β-sitosterol → nonadecanoic acid methyl ester (1731-94-8)

Guidance literature:

3-nonadecanoyl-β-sitosterol; With water; potassium hydroxide; In tetrahydrofuran; at 60 ℃; for 12h;

methanol; With sulfuric acid; for 12h; Reflux;

DOI:10.1080/14786419.2019.1650353

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + C38H69NO7 → nonadecanoic acid methyl ester (1731-94-8) + methyl 2-acetamino-1,3,4-triacetoxy decanoate

Guidance literature:

C₃₈H₆₉NO₇; With potassium permanganate; sodium periodate; potassium carbonate; In acetone; at 37 ℃; for 18h;

diazomethane; In diethyl ether;

DOI:10.1080/10286020.2013.812643

upstream raw materials:

methanol

nonadecanoic acid

1-diazo-nonadecan-2-one

1,19-nonadecanedioic acid

Downstream raw materials:

nonadecan-1-ol

1-octadecanol

1-octadecyl methanesulfonate

nonadecanoic acid

Refernces

• 1、 Shehu, Abdullahi,Ponnapalli, Mangala Gowri,Mahboob,Prabhakar,Olatunji, Gabriel Ademola. "New n-nonadecanoyl-β-sitosterol and other constituents from the stem-bark of Anacardium occidentale". . p. 1357 - 1363. Retrieved 2021.
• 2、 Duclos, Richard I.,Makriyannis, Alexandros. "Syntheses of All Four Stereoisomers Which Are Conformationally Constrained 1,4-Dioxanyl Analogs of the Antineoplastic Ether Lipid ET-18-OCH3". . p. 6156 - 6163. Retrieved 2007/10/02.