Demeton-O-methyl

Base Information

• Chemical Name: Demeton-O-methyl
• CAS No.: 867-27-6
• Molecular Formula: C6H15 O3 P S2
• Molecular Weight: 230.289
• European Community (EC) Number: 212-758-1
• ICSC Number: 0429
• UN Number: 3018
• UNII: V8S3QU9IT2
• DSSTox Substance ID: DTXSID6041840
• Nikkaji Number: J1.229G
• Wikidata: Q3394410
• Mol file: 867-27-6.mol

Synonyms:Demeton-O-methyl;867-27-6;Methyl-demeton-O;Methyl-O-demeton;Demeton-O-metile;Demeton-O-methyl [ISO];Demeton-O-metile [Italian];O,O-Dimethyl O-ethylmercaptoethyl thiophosphate;2-(Ethylthio)ethyl dimethyl phosphorothionate;EINECS 212-758-1;UNII-V8S3QU9IT2;BRN 1707378;O,O-Dimethyl O-2-(ethylthio)ethyl phosphorothioate;V8S3QU9IT2;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane;O,O-Dimethyl 2-ethylmercaptoethyl thiophosphate, thiono isomer;beta-Ethylmercaptoethyl dimethyl thionophosphate;Phosphorothioic acid, O-(2-(ethylthio)ethyl) O,O-dimethyl ester;O,O-Dimetil-O-(2-etiltio-etil)-monotiofosfato;O-(2-(Ethylthio)ethyl) O,O-dimethyl thiophosphate;O,O-Dimethyl-O-(2-aethylthio-aethyl)monothiophosphat;O,O-Dimethyl-O-(2-ethyl-thio-ethyl)-monothiofosfaat;O-(2-(Ethylthio)ethyl) O,O-dimethyl phosphorothioate;O,O-Dimetil-O-(2-etiltio-etil)-monotiofosfato [Italian];Thiophosphate de O,O-dimethyle et de O-2-ethylthio-ethyle;O,O-Dimethyl-O-(2-ethyl-thio-ethyl)-monothiofosfaat [Dutch];O,O-Dimethyl-O-(2-aethylthio-aethyl)monothiophosphat [German];Phosphorothioic acid, O-[2-(ethylthio)ethyl] O,O-dimethyl ester;Thiophosphate de O,O-dimethyle et de O-2-ethylthio-ethyle [French];Demeton-O-methyl [ISO};O-(2-(Ethylthio)ethyl) O,O-dimehyl thiophosphate;O-[2-(Ethylthio)ethyl] O,O-dimethyl thiophosphate;O-[2-(Ethylthio)ethyl] O,O-dimethyl phosphorothioate;O-Methyldemeton;Demeton-O-metyl;Metasystox thiono;SCHEMBL118720;DEMETON-O-METHYL [MI];C6H15O3PS2;BAY 15203 (Salt/Mix);DTXSID6041840;ENT 18,862;LS-108921;O-2-Ethylthioethyl O,O-dimethyl phosphorothioate;.beta.-Ethylmercaptoethyl dimethyl thionophosphate;o,o-dimethyl o-[2-(ethylthio)ethyl]thiophosphate;O,O-Dimethyl O-[2-(ethylthio)ethyl] thiophosphate;Q3394410;O,O-Dimethyl O-[2-(ethylthio)ethyl] phosphorothioate;O-[2-(Ethylsulfanyl)ethyl] O,O-dimethyl thiophosphate #;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-?^{5}-phosphane;Ethanol, 2-(ethylthio)-, O-ester with O,O-dimethyl phosphorothioate

Chemical Property of Demeton-O-methyl

Chemical Property:

• Vapor Pressure: 0.0184mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: nD20 1.5063
• Boiling Point: 89(0.02kPa)
• Flash Point: 112.1oC
• PSA: 94.89000
• Density: 1.207
• LogP: 2.92400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 230.02002368
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 24-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCCOP(=S)(OC)OC
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance may cause effects on the nervous system. Cholinesterase inhibition. The effects may be delayed. Medical observation is indicated.
• Uses: Demeton Methyl is an organophosphorus pesticides.

Technology Process of Demeton-O-methyl

There total 5 articles about Demeton-O-methyl 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: 35.0%

2-(ethylsulfanyl)ethanol (110-77-0) + parathion-methyl (298-00-0) → demeton-O-methyl (867-27-6)

Guidance literature:

With sodium hydroxide; In cyclohexane; at 50 ℃; for 144h;

DOI:10.1016/0040-4020(95)00413-3

Reference yield:

phosphorous acid-(2-ethylsulfanyl-ethyl ester)-dimethyl ester (98962-10-8) → demeton-O-methyl (867-27-6)

Guidance literature:

With sulfur;

DOI:10.1021/ja01538a035

Reference yield:

dimethyl chlorothiophosphate (2524-03-0) → demeton-O-methyl (867-27-6)

Guidance literature:

With benzene;

upstream raw materials:

phosphorous acid-(2-ethylsulfanyl-ethyl ester)-dimethyl ester

2-(ethylsulfanyl)ethanol

dimethyl chlorothiophosphate

parathion-methyl

Downstream raw materials:

demeton-S-methyl

thiophosphoric acid O-(2-ethanesulfinyl-ethyl ester)-O',O''-dimethyl ester

Refernces