ETHYL THIOBUTYRATE

Base Information

• Chemical Name: ETHYL THIOBUTYRATE
• CAS No.: 20807-99-2
• Molecular Formula: C6H12OS
• Molecular Weight: 132.227
• Hs Code.: 2930909090
• Mol file: 20807-99-2.mol

Synonyms:Butyricacid, thio-, S-ethyl ester (6CI,7CI,8CI);Ethyl thiobutyrate;S-Butyrylethanethiol;S-Ethyl butanethioate;S-Ethyl thiobutanoate;

Chemical Property of ETHYL THIOBUTYRATE

Chemical Property:

• Boiling Point: 164.9 °C at 760 mmHg
• Flash Point: 48.8 °C
• PSA: 41.32000
• Density: 0.953 g/cm³
• LogP: 2.15040

Purity/Quality:

99% ^*data from raw suppliers

ETHYL THIOBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Composition and Structure: Ethyl thiobutyrate, also known as O-ethyl butanethioate, has the molecular structure of an ethyl group attached to a butanethioate moiety.
• Uses: Food Flavoring:; Used as a spice to prepare food flavors such as cream, cheese, banana, cherry, grape, citrus, peach, etc.; ; Solvent:; Utilized as a solvent for fiber ethers and esters, as well as for natural and synthetic resins.; ; Pharmaceutical Synthesis:; Acts as an intermediate in pharmaceutical synthesis.
• Production Methods: Synthesized chemically through the reaction of butyric acid with ethanol in the presence of a thiol compound.

Technology Process of ETHYL THIOBUTYRATE

There total 9 articles about ETHYL THIOBUTYRATE 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: 85.0%

1--butanethione (5309-97-7) + ethyl iodide (75-03-6) → ethylthioacetic acid ethyl ester (20807-99-2)

Guidance literature:

In tetrahydrofuran; water; for 72h; Heating;

DOI:10.1016/S0040-4020(98)01096-5

Reference yield: 23.0%

butyryl chloride (141-75-3) + ethanethiol (75-08-1) → ethylthioacetic acid ethyl ester (20807-99-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1002/adsc.202100369

Reference yield:

1-bromo-2-<(ethylthio)carbonyl>propane (70166-15-3) → ethylthioacetic acid ethyl ester (20807-99-2) + S-ethyl 2-methylprop-2-enethioate (54667-15-1) + ethyl β-methylthiopropionate (2432-50-0)

Guidance literature:

With tetrabutyl ammonium fluoride; 1ester>ClO4; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Product distribution; electrolysis with Pt electrodes, various time, potential, and CH₃COOH additive;

DOI:10.1246/bcsj.60.311

upstream raw materials:

butyryl chloride

sodium thioethylate

2-propyl-1,3-oxathiolan

ethanethiol

Downstream raw materials:

n-octyl butyrate

Triphenylphosphin-<1-butyryl-aethylen>

butyric acid

1-phenyl-hex-1-yn-3-one

Refernces

• 1、 Gravel, Christian,Lapierre, Danielle,Labelle, Judith,Keillor, Jeffrey W.. "Acyl transfer from carboxylate, carbonate, and thiocarbonate esters to enzymatic and nonenzymatic thiolates". . p. 164 - 174. Retrieved 2008/02/13.
• 2、 Murakami, Yukito,Hisaeda, Yoshio,Ozaki, Toshiaki,Tashiro, Takako,Ohno, Teruhisa,et al.. "Hydrophobic Vitamin B12. V. Electrochemical Carbon-Skeleton Rearrangement as Catalyzed by Hydrophobic Vitamin B12: Reaction Mechanisms and Migratory Aptitude of Functional Groups". . p. 311 - 324. Retrieved 2007/10/02.