Hexanoic acid, 2-ethylhexyl ester

Base Information

• Chemical Name: Hexanoic acid, 2-ethylhexyl ester
• CAS No.: 16397-75-4
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• Hs Code.: 2915900090
• European Community (EC) Number: 240-447-0
• DSSTox Substance ID: DTXSID20884884
• Nikkaji Number: J286.886E
• Mol file: 16397-75-4.mol

Synonyms:2-Ethylhexyl hexanoate;Hexanoic acid, 2-ethylhexyl ester;16397-75-4;EINECS 240-447-0;2-Ethylhexyl hexanoate #;SCHEMBL247560;DTXSID20884884;HEXANOIC ACID 2-ETHYLHEXYL ESTER;AS-76105;D92908

Chemical Property of Hexanoic acid, 2-ethylhexyl ester

Chemical Property:

• Vapor Pressure: 0.00918mmHg at 25°C
• Boiling Point: 265.4°Cat760mmHg
• Flash Point: 115°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.32630
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCC(CC)CCCC

Technology Process of Hexanoic acid, 2-ethylhexyl ester

There total 1 articles about Hexanoic acid, 2-ethylhexyl 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:

2-Ethylhexyl alcohol (104-76-7) + hexanoic acid (142-62-1) → 2-ethylhexyl hexanoate (16397-75-4)

Guidance literature:

With methanesulfonic acid; at 150 ℃;

upstream raw materials:

2-Ethylhexyl alcohol

hexanoic acid

Refernces