Butanethioic acid, 2-methyl-, S-(1-methylpropyl) ester

Base Information

• Chemical Name: Butanethioic acid, 2-methyl-, S-(1-methylpropyl) ester
• CAS No.: 34322-08-2
• Molecular Formula: C9H18 O S
• Molecular Weight: 174.30362
• European Community (EC) Number: 251-937-9
• DSSTox Substance ID: DTXSID00865712
• Nikkaji Number: J287.900J
• Mol file: 34322-08-2.mol

Synonyms:34322-08-2;Butanethioic acid, 2-methyl-, S-(1-methylpropyl) ester;S-sec-Butyl 2-methylthiobutyrate;S-butan-2-yl 2-methylbutanethioate;2-Methylthiobutyric acid, S-sec-butyl ester;EINECS 251-937-9;S-1-Methylpropyl 2-methylbutanethioate;SCHEMBL1130267;DTXSID00865712;AKOS006328351;2-(Methyl)thiobutyric acid S-sec-butyl ester;Butyric acid, 2-methylthio-, S-sec-butyl ester;Butanoic acid, 2-methyl, S-(1-methylpropyl) ester

Chemical Property of Butanethioic acid, 2-methyl-, S-(1-methylpropyl) ester

Chemical Property:

• Vapor Pressure: 0.133mmHg at 25°C
• Boiling Point: 217.4°Cat760mmHg
• Flash Point: 73.9°C
• PSA: 42.37000
• Density: 0.922g/cm³
• LogP: 3.09080
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 174.10783637
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

S-SEC-BUTYL 2-METHYLTHIOBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)SC(C)CC