3-(Methylthio)hexanal

Base Information

• Chemical Name: 3-(Methylthio)hexanal
• CAS No.: 38433-74-8
• Molecular Formula: C7H14OS
• Molecular Weight: 146.254
• Hs Code.: 2930909090
• European Community (EC) Number: 253-929-0
• UNII: 1U9V3213BJ
• DSSTox Substance ID: DTXSID80865912
• Nikkaji Number: J294.659I
• Wikidata: Q27252899
• Metabolomics Workbench ID: 48887
• Mol file: 38433-74-8.mol

Synonyms:3-(Methylthio)hexanal;38433-74-8;3-methylsulfanylhexanal;3-Methylthiohexanal;Hexanal, 3-(methylthio)-;3-Methylthio hexanal;EINECS 253-929-0;UNII-1U9V3213BJ;1U9V3213BJ;3-methylsulanylhexanal;3-(methyl thio) hexanal;Hexanal, 3-(methylthio);3-METHYLTHIOHEXENAL;SCHEMBL440493;FEMA NO. 3877;FEMA 3877;FEMA-3877;3-(METHYLSULFANYL)HEXANAL;DTXSID80865912;CHEBI:173390;VIVJHDGDCOQORO-UHFFFAOYSA-N;3-METHYLTHIOHEXANAL [FHFI];AMY39512;(+/-)-3-METHYLTHIOHEXANAL;MFCD08457878;AKOS006228517;3-METHYLTHIOHEXANAL, (+/-)-;FT-0653412;A824147;J-640442;J-800457;Q27252899

Chemical Property of 3-(Methylthio)hexanal

Chemical Property:

• Vapor Pressure: 0.239mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 206.33 °C at 760 mmHg
• Flash Point: 76.863 °C
• PSA: 42.37000
• Density: 0.939 g/cm³
• LogP: 2.10710
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 146.07653624
• Heavy Atom Count: 9
• Complexity: 73.3

Purity/Quality:

97% ^*data from raw suppliers

3-(METHYLTHIO)HEXANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC=O)SC

Technology Process of 3-(Methylthio)hexanal

There total 1 articles about 3-(Methylthio)hexanal 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:

→ 3-methylsulfanyl-hexanal (38433-74-8)

Guidance literature:

DOI:10.1021/jf60196a036 DOI:10.1002/hlca.19760590520