Methylthiomethyl hexanoate

Base Information

• Chemical Name: Methylthiomethyl hexanoate
• CAS No.: 74758-91-1
• Molecular Formula: C8H16O2S
• Molecular Weight: 176.28
• European Community (EC) Number: 277-988-7
• UNII: 2VJ58GF47Z
• DSSTox Substance ID: DTXSID3072795
• Nikkaji Number: J349.457H
• Wikidata: Q27255651
• Metabolomics Workbench ID: 48158
• Mol file: 74758-91-1.mol

Synonyms:METHYLTHIOMETHYL HEXANOATE;74758-91-1;methylsulfanylmethyl hexanoate;(Methylthio)methyl hexanoate;(METHYLSULFANYL)METHYL HEXANOATE;Hexanoic acid, (methylthio)methyl ester;Hexanoic acid,(methylthio)methyl ester;UNII-2VJ58GF47Z;2VJ58GF47Z;EINECS 277-988-7;methylsulfanylmethylhexanoate;methylsulanylmethyl hexanoate;(methyl thio) methyl hexanoate;SCHEMBL3504599;DTXSID3072795;FEMA NO. 3880;FEMA 3880;CHEBI:168823;LMFA07010969;AKOS006291298;Hexanoic acid (methylthio)methyl ester;METHYLTHIOMETHYL HEXANOATE [FHFI];Q27255651

Chemical Property of Methylthiomethyl hexanoate

Chemical Property:

• Appearance/Colour: colourless to pale yellow liquid
• Vapor Pressure: 0.0937mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 223.9 ºC at 760 mmHg
• Flash Point: 88.4 ºC
• PSA: 51.60000
• Density: 0.99 g/cm³
• LogP: 2.43040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 176.08710092
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

METHYLTHIOMETHYL HEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCSC

Technology Process of Methylthiomethyl hexanoate

There total 1 articles about Methylthiomethyl hexanoate 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:

dimethylsulfone (67-71-0) + hexanoic acid (142-62-1) → (methylthiomethyl) hexanoate (74758-91-1)

Guidance literature:

With phenyl isocyanate;

upstream raw materials:

dimethylsulfone

hexanoic acid

Refernces