Octadecanoic acid, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Octadecanoic acid, 1,1-dimethylethyl ester
• CAS No.: 31158-92-6
• Molecular Formula: C22H44O2
• Molecular Weight: 340.58400
• DSSTox Substance ID: DTXSID10464215
• Nikkaji Number: J903.700D
• Wikidata: Q82289461
• Mol file: 31158-92-6.mol

Synonyms:Tert-butyl Octadecanoate;Octadecanoic acid, 1,1-dimethylethyl ester;31158-92-6;t-butyl stearate;SCHEMBL62214;DTXSID10464215

Chemical Property of Octadecanoic acid, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 7.58960
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 340.334130642
• Heavy Atom Count: 24
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C

Technology Process of Octadecanoic acid, 1,1-dimethylethyl ester

There total 6 articles about Octadecanoic acid, 1,1-dimethylethyl ester 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: 91.0%

Methyl stearate (112-61-8) + tert-butyl alcohol (75-65-0) → tert-butyl stearate (31158-92-6)

Guidance literature:

With K5; In toluene; at 85 ℃; for 12h;

DOI:10.1055/s-2006-942456

Reference yield: 91.0%

Octadecanoic acid (Z)-2-dimethylcarbamoyl-1-methyl-vinyl ester (89611-18-7) + tert-butyl alcohol (75-65-0) → tert-butyl stearate (31158-92-6)

Guidance literature:

With (1S)-10-camphorsulfonic acid; In dichloromethane; at 40 ℃; other solvent and temperature;

DOI:10.1016/S0040-4039(00)99860-5

Reference yield: 56.0%

stearic acid (57-11-4) + tert-butyl alcohol (75-65-0) → tert-butyl stearate (31158-92-6)

Guidance literature:

iodine; for 20h; Heating;

DOI:10.1016/S0040-4039(01)02235-3

upstream raw materials:

Stearoyl chloride

tert-butyl alcohol

Octadecanoic acid (Z)-2-dimethylcarbamoyl-1-methyl-vinyl ester

stearic acid