Ethyl 3-mercaptobutyrate

Base Information

• Chemical Name: Ethyl 3-mercaptobutyrate
• CAS No.: 156472-94-5
• Molecular Formula: C6H12 O2 S
• Molecular Weight: 148.22
• Hs Code.: 2930909090
• European Community (EC) Number: 435-460-5,639-048-8
• UNII: Y86NFY8S7J
• DSSTox Substance ID: DTXSID80935467
• Nikkaji Number: J3.015.056B
• Wikidata: Q27294369
• Metabolomics Workbench ID: 45384
• Mol file: 156472-94-5.mol

Synonyms:Ethyl 3-mercaptobutyrate;Ethyl 3-sulfanylbutanoate;156472-94-5;Ethyl 3-mercaptobutanoate;Butanoic acid, 3-mercapto-, ethyl ester;FEMA No. 3977;Ethyl 3-mercaptobutyrate, (+/-)-;UNII-Y86NFY8S7J;Y86NFY8S7J;Butanoic acid, 3-mercapto-, ethyl ester, (+/-)-;(+/-)-Ethyl 3-mercaptobutyrate [FIFH];Ethyl3-sulfanylbutanoate;ethyl 3-sulanylbutanoate;SCHEMBL818904;DTXSID80935467;(+/-) Ethyl 3-mercaptobutyrate;CHEBI:193661;3-Mercaptobutyric acid ethyl ester;3-Mercapto-butyric acid ethyl ester;LMFA07010863;AKOS010986087;FT-0660313;EN300-78807;(+/-)-ETHYL 3-MERCAPTOBUTYRATE [FHFI];Q27294369

Chemical Property of Ethyl 3-mercaptobutyrate

Chemical Property:

• Vapor Pressure: 0.567mmHg at 25°C
• Boiling Point: 189 ºC
• Flash Point: 70 ºC
• PSA: 65.10000
• Density: 1.018
• LogP: 1.25790
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl3-mercaptobutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)S