Ethyl 3-(methylthio)propionate

Base Information

• Chemical Name: Ethyl 3-(methylthio)propionate
• CAS No.: 13327-56-5
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.226
• Hs Code.: 29309090
• European Community (EC) Number: 236-370-7
• NSC Number: 165650
• UNII: 1AVT374NII
• DSSTox Substance ID: DTXSID2065414
• Nikkaji Number: J213.846H
• Wikidata: Q27159679
• Metabolomics Workbench ID: 49030
• Mol file: 13327-56-5.mol

Synonyms:13327-56-5;Ethyl 3-(methylthio)propionate;Ethyl 3-(methylthio)propanoate;Ethyl 3-methylthiopropionate;Propanoic acid, 3-(methylthio)-, ethyl ester;ethyl 3-methylsulfanylpropanoate;Ethyl methyl mercaptopropionate;Ethyl 3-(methylsulfanyl)propanoate;3-(Methylthio)propanoic acid ethyl ester;3-(Methylthio)propionic acid ethylester;Ethyl beta-methylthiopropionate;FEMA No. 3343;Ethyl 3-methylmercaptopropionate;Ethyl methylthiopropanoate;Propionic acid, 3-(methylthio)-, ethyl ester;UNII-1AVT374NII;1AVT374NII;Ethyl .beta.-methylthiopropionate;EINECS 236-370-7;NSC 165650;NSC-165650;3-(Methylthio)propionic Acid Ethyl Ester;Ethyl 3-Methylthio Propionate;SCHEMBL1448036;Ethyl beta -methylthiopropionate;DTXSID2065414;CHEBI:87503;FEMA 3343;Ethyl 3-(methylmercapto)propionate;MFCD00039900;NSC165650;3-methylthiopropionic acid ethyl ester;AKOS008901304;CS-W010980;AS-66120;ETHYL 3-METHYLTHIOPROPIONATE [FCC];ETHYL 3-METHYLTHIOPROPIONATE [FHFI];E0793;FT-0613799;FT-0668330;D90571;EN300-7055735;A806588;(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfonate;Ethyl 3-(methylthio)propionate, >=99%, FCC, FG;J-640411;J-800445;Q27159679

Chemical Property of Ethyl 3-(methylthio)propionate

Chemical Property:

• Appearance/Colour: clear colorless to pale yellowish liquid
• Vapor Pressure: 0.324mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 200.5 °C at 760 mmHg
• Flash Point: 81 °C
• PSA: 51.60000
• Density: 1.03 g/cm³
• LogP: 1.30260
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-(Methylthio)propionate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCSC

Technology Process of Ethyl 3-(methylthio)propionate

There total 6 articles about Ethyl 3-(methylthio)propionate 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: 76.0%

chloro-methylsulfanyl-methane (2373-51-5) + 1-Ethoxy-1-trimethylsilyloxy-1-buten (65946-52-3) → chloro-trimethyl-silane (75-77-4) + 3-(methylthio)propanoic acid ethyl ester (13327-56-5)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1246/cl.1983.405

Reference yield:

methylthiol (74-93-1) + ethyl 3-iodopropanoate (6414-69-3) → 3-(methylthio)propanoic acid ethyl ester (13327-56-5)

Guidance literature:

With sodium ethanolate;

Reference yield:

ethanol (64-17-5) + 3-(methylsulfanyl)propionic acid (646-01-5) → 3-(methylthio)propanoic acid ethyl ester (13327-56-5)

Guidance literature:

upstream raw materials:

methylthiol

ethyl 3-iodopropanoate

ethanol

3-(methylsulfanyl)propionic acid

Downstream raw materials:

4-thiaheptane-1,7-dioic acid

dimethylsulfide

3-(methylsulfanyl)propionic acid

Refernces