Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester

Base Information

• Chemical Name: Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester
• CAS No.: 34322-06-0
• Molecular Formula: C8H16 O S
• Molecular Weight: 160.28
• Hs Code.: 2930909090
• European Community (EC) Number: 251-936-3
• UNII: 5M3JN5QUG5
• DSSTox Substance ID: DTXSID6067832
• Nikkaji Number: J287.899B
• Wikidata: Q81994488
• Mol file: 34322-06-0.mol

Synonyms:34322-06-0;S-Isopropyl 3-methylbutanethioate;Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester;S-Isopropyl 3-methylthiobutyrate;S-propan-2-yl 3-methylbutanethioate;ISOPROPYL THIOISOVALERATE;3-Methylthiobutyric acid, S-isopropyl ester;EINECS 251-936-3;S-1-Methylethyl 3-methylbutanethioate;5M3JN5QUG5;2-propyl 3-methylbutanethioate;UNII-5M3JN5QUG5;DTXSID6067832;SCHEMBL15796358;AKOS006288006;S - isopropyl 3 - methylthiobutyrate;3-(Methyl)thiobutyric acid S-isopropyl ester;Butyric acid, 3-methylthio-, S-isopropyl ester;A900841;3-Methyl-Butanethioic Acid S-(1-Methylethyl) Ester

Chemical Property of Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 0.398mmHg at 25°C
• Boiling Point: 196.5°C at 760 mmHg
• Flash Point: 63.2°C
• PSA: 42.37000
• Density: 0.929g/cm³
• LogP: 2.70070
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.09218630
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-PROPYL-3-METHYL BUTANETHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)SC(C)C