2-Hydroxyethyl butyrate

Base Information

• Chemical Name: 2-Hydroxyethyl butyrate
• CAS No.: 4219-46-9
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• European Community (EC) Number: 224-158-7
• NSC Number: 67336,13524
• DSSTox Substance ID: DTXSID00195006
• Nikkaji Number: J106.449E
• Wikidata: Q83067882
• Mol file: 4219-46-9.mol

Synonyms:2-Hydroxyethyl butyrate;4219-46-9;2-hydroxyethyl butanoate;EINECS 224-158-7;AI3-11203;2-hydroxyethylbutyrate;2-oxyethyl butyrate;Ethylene glycol 1-butyrate;SCHEMBL50506;DTXSID00195006;NSC13524;NSC67336;Butanoic acid, 2-hydroxyethyl ester;MFCD28360989;NSC 13524;NSC 67336;NSC-13524;NSC-67336;AS-79212;CS-0161345;D81566

Chemical Property of 2-Hydroxyethyl butyrate

Chemical Property:

• Vapor Pressure: 0.0274mmHg at 25°C
• Boiling Point: 218°Cat760mmHg
• Flash Point: 89.5°C
• PSA: 46.53000
• Density: 1.027g/cm³
• LogP: 0.32200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxyethylbutyrate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCCO

Technology Process of 2-Hydroxyethyl butyrate

There total 13 articles about 2-Hydroxyethyl butyrate 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: 45.0%

ethylene glycol (107-21-1) + butyraldehyde (123-72-8) → 2-hydroxyethyl butanoate (4219-46-9)

Guidance literature:

With tert.-butylhydroperoxide; 2-(2-methoxy-phenyl)-pyridine; chloroauric acid; In water; acetonitrile; at 75 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.200903450

Reference yield:

ethylene glycol (107-21-1) + butyryl chloride (141-75-3) → 2-hydroxyethyl butanoate (4219-46-9)

Guidance literature:

With triethylamine;

DOI:10.1016/S0040-4039(97)01573-6

Reference yield:

ethylene glycol (107-21-1) + butyryl chloride (141-75-3) → 2-hydroxyethyl butanoate (4219-46-9) + ethylene glycol dibutyrate (105-72-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1007/s11746-006-1194-y

upstream raw materials:

ethylene glycol

butyric acid

potassium n-butyrate

2-chloro-ethanol

Downstream raw materials:

butyl butyrate

ethylene glycol dibutyrate

ethylene glycol

butyric acid

Refernces

• 1、 Bian, Haiyong,Feng, Jinhong,Xu, Wenfang. "Synthesis and biological evaluation of novel AM80 derivatives as antileukemic agents". . p. 175 - 185. Retrieved 2013/03/13.
• 2、 Hashmi, A. Stephen K.,Lothschuetz, Christian,Ackermann, Martin,Doepp, Rene,Anantharaman, Sankaran,Marchetti, Benjamin,Bertagnolli, Helmut,Rominger, Frank. "Gold catalysis: In situ EXAFS study of homogeneous oxidative esterification". experimental part. p. 8012 - 8019. Retrieved 2010/09/11.