Methyl 3-(hexylthio)propionate

Base Information

• Chemical Name: Methyl 3-(hexylthio)propionate
• CAS No.: 67859-54-5
• Molecular Formula: C10H20O2S
• Molecular Weight: 204.3296
• European Community (EC) Number: 267-401-2
• UNII: L3XVS4FHY6
• DSSTox Substance ID: DTXSID7070715
• Nikkaji Number: J287.529B
• Wikidata: Q81998110
• Mol file: 67859-54-5.mol

Synonyms:Methyl 3-(hexylthio)propionate;67859-54-5;L3XVS4FHY6;3-hexylsulfanyl-propionic acid methyl ester;EINECS 267-401-2;Propanoic acid, 3-(hexylthio)-, methyl ester;methyl 3-(hexylsulfanyl)propanoate;UNII-L3XVS4FHY6;SCHEMBL8895243;DTXSID7070715;3-(Hexylthio)propionic acid methyl ester

Chemical Property of Methyl 3-(hexylthio)propionate

Chemical Property:

• Vapor Pressure: 0.00474mmHg at 25°C
• Boiling Point: 276.7°C at 760 mmHg
• Flash Point: 116.4°C
• PSA: 51.60000
• Density: 0.968g/cm³
• LogP: 2.86300
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSCCC(=O)OC

Technology Process of Methyl 3-(hexylthio)propionate

There total 3 articles about Methyl 3-(hexylthio)propionate 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: 95.0%

Hexanethiol (111-31-9) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-(hexylthio)propionate (67859-54-5)

Guidance literature:

poly(N-vinylimidazole); In ethanol; water; at 20 - 25 ℃; for 2h;

DOI:10.1134/S1070428007110279

Reference yield: 94.0%

S-hexyl ethanethioate (2307-12-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-(hexylthio)propionate (67859-54-5)

Guidance literature:

With borohydride exchange resin-Pd; In methanol; at 65 ℃; for 1h;

DOI:10.1080/00397919608003578

Reference yield:

→ methyl 3-(hexylthio)propionate (67859-54-5)

Guidance literature:

upstream raw materials:

S-hexyl ethanethioate

acrylic acid methyl ester

Hexanethiol