Methyl octacosanoate

Base Information

• Chemical Name: Methyl octacosanoate
• CAS No.: 55682-92-3
• Molecular Formula: C29H58 O2
• Molecular Weight: 438.778
• European Community (EC) Number: 259-754-6
• UNII: 82S906Z1UB
• DSSTox Substance ID: DTXSID60204204
• Nikkaji Number: J267.043G
• Wikidata: Q27269351
• Mol file: 55682-92-3.mol

Synonyms:METHYL OCTACOSANOATE;55682-92-3;Octacosanoic acid methyl ester;Octacosanoic acid, methyl ester;EINECS 259-754-6;UNII-82S906Z1UB;82S906Z1UB;Methyl montanate;METHYLOCTACOSANOATE;montanic acid methyl ester;Montanic acid, methyl ester;SCHEMBL2349831;DTXSID60204204;CHEBI:192290;AKOS015903301;Methyl octacosanoate, analytical standard;HY-141634;Octacosanoic acid methyl ester (FAME MIX);CS-0182790;FT-0725009;Q27269351;29684D9A-0749-4587-9B65-AA00AE9C4FC6

Chemical Property of Methyl octacosanoate

Chemical Property:

• Vapor Pressure: 1.4E-08mmHg at 25°C
• Melting Point: 67-69 °C
• Boiling Point: 458.2°Cat760mmHg
• Flash Point: 231°C
• PSA: 26.30000
• Density: 0.859g/cm³
• LogP: 10.32190
• XLogP3: 14.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 27
• Exact Mass: 438.44368109
• Heavy Atom Count: 31
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl octacosanoate analytical standard ^*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: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Technology Process of Methyl octacosanoate

There total 8 articles about Methyl octacosanoate 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) + octacosanoic acid (506-48-9) → methyl octacosanoate (55682-92-3)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01147a518

Reference yield:

Octacosanoic acid 1-acetoxymethyl-2-octacosanoyloxy-ethyl ester (52363-35-6) → methyl octacosanoate (55682-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol

2: diethyl ether; CHCl₃

With potassium hydroxide; In diethyl ether; ethanol; chloroform;

DOI:10.1248/cpb.21.2265

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + octacosanoic acid (506-48-9) → methyl octacosanoate (55682-92-3)

Guidance literature:

In diethyl ether; chloroform;

DOI:10.1248/cpb.21.2265

upstream raw materials:

methanol

octacosanoic acid

diazomethane

5-[2-(5-Octadecyl-thiophen-2-yl)-[1,3]dithiolan-2-yl]-pentanoic acid methyl ester

Downstream raw materials:

octacosyl alcohol

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