Methyl nonacosanoate

Base Information

• Chemical Name: Methyl nonacosanoate
• CAS No.: 4082-55-7
• Molecular Formula: C30H60O2
• Molecular Weight: 452.805
• Hs Code.: 2915900090
• European Community (EC) Number: 223-808-7
• DSSTox Substance ID: DTXSID40193809
• Nikkaji Number: J217.889C
• Wikidata: Q83066534
• Mol file: 4082-55-7.mol

Synonyms:METHYL NONACOSANOATE;4082-55-7;Methyl nonacosan-1-oate;EINECS 223-808-7;METHYLNONACOSANOATE;Nonacosanoic acid methyl ester;SCHEMBL245609;Nonacosanoic acid, methyl ester;DTXSID40193809;HY-W127472;CS-0185701;FT-0761218

Chemical Property of Methyl nonacosanoate

Chemical Property:

• Vapor Pressure: 6.67E-09mmHg at 25°C
• Melting Point: 69-72oC
• Boiling Point: 467.1°Cat760mmHg
• Flash Point: 235.6°C
• PSA: 26.30000
• Density: 0.858g/cm³
• LogP: 10.71200
• Storage Temp.: 2-8°C
• XLogP3: 15
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 28
• Exact Mass: 452.45933115
• Heavy Atom Count: 32
• Complexity: 353

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL NONACOSANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Technology Process of Methyl nonacosanoate

There total 11 articles about Methyl nonacosanoate 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) + 3β-12-ursen-3-yl nonacosanoate → nonacosanoic acid methyl ester (4082-55-7) + α-amyrin (638-95-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

C30H58O2 (1057386-68-1) → nonacosanoic acid methyl ester (4082-55-7)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; dichloromethane;

Reference yield:

8-[2-(5-Hexadecyl-thiophen-2-yl)-[1,3]dithiolan-2-yl]-octanoic acid methyl ester (111514-97-7) → nonacosanoic acid methyl ester (4082-55-7)

Guidance literature:

With W₆ Raney nickel; In ethanol; Heating;

upstream raw materials:

methanol

12.15.18-Trioxo-nonacosansaeure-tris-ethylenthio-ketal

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

methyl 11-iodoundecanoate

Downstream raw materials:

n-nonacosanoic acid

1-nonacosanol

Refernces

• 1、 -. "C-GLYCOLIPIDS WITH ENHANCED TH-1 PROFILE". Page/Page column 37. . Retrieved 2008/06/13.
• 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.