2-Hydroxyethyl 2-ethylhexanoate

Base Information

• Chemical Name: 2-Hydroxyethyl 2-ethylhexanoate
• CAS No.: 25601-36-9
• Molecular Formula: C10H20O3
• UNII: A2NYL17I2A
• Nikkaji Number: J757.178J
• Wikidata: Q27273535
• Mol file: 25601-36-9.mol

Synonyms:2-hydroxyethyl 2-ethylhexanoate;25601-36-9;Ethylene glycol mono(2-ethylhexanoate);A2NYL17I2A;Ethylene glycol, mono(2-ethylhexanoate);Hexanoic acid, 2-ethyl-, 2-hydroxyethyl ester;Glycol Ethylhexanoate;UNII-A2NYL17I2A;SCHEMBL394474;2-Ethylhexanoic acid 2-hydroxyethyl ester;AS-76908;D94283;Q27273535

Chemical Property of 2-Hydroxyethyl 2-ethylhexanoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)OCCO

Technology Process of 2-Hydroxyethyl 2-ethylhexanoate

There total 2 articles about 2-Hydroxyethyl 2-ethylhexanoate 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:

oxirane (75-21-8,99932-75-9) + 2-Ethylhexanoic acid (149-57-5) → ethylene glycol mono 2-ethylhexanoate (25601-36-9)

Guidance literature:

2-Ethylhexanoic acid; With potassium hydroxide; In water; at 90 ℃; under 15.0015 Torr; Inert atmosphere;

oxirane; at 140 ℃; for 16h; under 1125.11 - 4650.47 Torr; Inert atmosphere;

Reference yield:

trans-3-heptene (14686-14-7) + carbon monoxide (201230-82-2) + ethylene glycol (107-21-1) → ethylene glycol mono 2-ethylhexanoate (25601-36-9) + 2-hydroxyethyl 2-propylpentanoate + 2-Methyl-heptanoic acid 2-hydroxy-ethyl ester

Guidance literature:

With hydrogenchloride; oxygen; copper dichloride; palladium dichloride; In tetrahydrofuran; Product distribution; Ambient temperature;

DOI:10.1039/c39840001349

upstream raw materials:

trans-3-heptene

carbon monoxide

ethylene glycol

oxirane