Methylthiomethyl butyrate

Base Information

• Chemical Name: Methylthiomethyl butyrate
• CAS No.: 74758-93-3
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.22
• European Community (EC) Number: 277-989-2
• UNII: 9PF86RKU3Z
• DSSTox Substance ID: DTXSID60868320
• Nikkaji Number: J349.458F
• Wikidata: Q27272866
• Metabolomics Workbench ID: 48157
• Mol file: 74758-93-3.mol

Synonyms:Methylthiomethyl butyrate;74758-93-3;(Methylthio)methyl butyrate;methylsulfanylmethyl butanoate;Methyl 2-methylthiobutyrate;methyl thiomethyl butyrate;UNII-9PF86RKU3Z;9PF86RKU3Z;FEMA No. 3708;(methylsulfanyl)methyl butanoate;EINECS 277-989-2;Butanoic acid, (methylthio)methyl ester;Methylthiomethylbutyrate;(Methylthio)methylbutyrate;methylsulanylmethyl butanoate;SCHEMBL3506007;FEMA NO. 3879;FEMA 3879;DTXSID60868320;CHEBI:193665;PGAUNUCMBMQPFT-UHFFFAOYSA-N;LMFA07010968;Butyric acid (methylthio)methyl ester;AKOS006293102;METHYLTHIOMETHYL BUTYRATE [FHFI];FT-0628916;A838220;W-104411;Q27272866

Chemical Property of Methylthiomethyl butyrate

Chemical Property:

• Appearance/Colour: colorless to pale yellow clear liquid
• Vapor Pressure: 0.818mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 182.3 ºC at 760 mmHg
• Flash Point: 68.6 ºC
• PSA: 51.60000
• Density: 1.022 g/cm³
• LogP: 1.65020
• XLogP3: 1.7
• 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

METHYLTHIOMETHYL BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCSC