Undecanoic acid, 2-methylpropyl ester

Base Information

• Chemical Name: Undecanoic acid, 2-methylpropyl ester
• CAS No.: 62637-96-1
• Molecular Formula: C₁₅H₃₀O₂
• Molecular Weight: 242.402
• DSSTox Substance ID: DTXSID5069598
• Nikkaji Number: J429.465C
• Wikidata: Q81996532
• Mol file: 62637-96-1.mol

Synonyms:Undecanoic acid, 2-methylpropyl ester;62637-96-1;Undecanoic acid 2-methylpropyl ester;2-methylpropyl undecanoate;Undecansaureisobutylester;SCHEMBL2396865;Undecanoic acid, isobutyl ester;DTXSID5069598

Chemical Property of Undecanoic acid, 2-methylpropyl ester

Chemical Property:

• Vapor Pressure: 0.00358mmHg at 25°C
• Boiling Point: 281.3°Cat760mmHg
• Flash Point: 125°C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 4.71640
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)OCC(C)C

Technology Process of Undecanoic acid, 2-methylpropyl ester

There total 1 articles about Undecanoic acid, 2-methylpropyl 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:

undecylenic acid (112-37-8) + isobutyl chloroformate (543-27-1) → C15H30O2 (62637-96-1)

Guidance literature:

In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃; for 0.5h;

DOI:10.1002/chem.201604022

upstream raw materials:

undecylenic acid

isobutyl chloroformate