O,O-Dimethyl S-hexyl phosphorothioate

Base Information

• Chemical Name: O,O-Dimethyl S-hexyl phosphorothioate
• CAS No.: 79985-90-3
• Molecular Formula: C8H19O3PS
• Molecular Weight: 226.277
• DSSTox Substance ID: DTXSID201000877
• Mol file: 79985-90-3.mol

Synonyms:BRN 1707590;O,O-Dimethyl S-hexyl phosphorothioate;Phosphorothioic acid, O,O-dimethyl S-hexyl ester;79985-90-3;DTXSID201000877;LS-108836;O-Hexan-2-yl O,O-dimethyl phosphorothioate

Chemical Property of O,O-Dimethyl S-hexyl phosphorothioate

Chemical Property:

• Vapor Pressure: 0.0746mmHg at 25°C
• Boiling Point: 235.9°C at 760 mmHg
• Flash Point: 96.5°C
• Density: 1.066g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 226.07925264
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)OP(=S)(OC)OC

Technology Process of O,O-Dimethyl S-hexyl phosphorothioate

There total 1 articles about O,O-Dimethyl S-hexyl phosphorothioate 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:

methyl phosphite (96-36-6,868-85-9) + 1-hexylthiocyanate (6803-40-3) → thiophosphoric acid S-hexyl ester-O,O'-dimethyl ester (79985-90-3)

Guidance literature:

With dibutyl ether; sodium;

upstream raw materials:

methyl phosphite

1-hexylthiocyanate