O-Isopropyl ethylthiocarbamate

Base Information

• Chemical Name: O-Isopropyl ethylthiocarbamate
• CAS No.: 141-98-0
• Molecular Formula: C6H13NOS
• Molecular Weight: 147.241
• Hs Code.: 2930909090
• European Community (EC) Number: 205-517-7
• UNII: H67Z2VP9UI
• DSSTox Substance ID: DTXSID7027093
• Nikkaji Number: J193.632H
• Wikidata: Q27279697
• Mol file: 141-98-0.mol

Synonyms:Dow Z-200;N-ethyl O-isopropyl thiocarbamate;Z 200;Z-200

Chemical Property of O-Isopropyl ethylthiocarbamate

Chemical Property:

• Vapor Pressure: 1.88mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 165.317 °C at 760 mmHg
• PKA: 14.50±0.70(Predicted)
• Flash Point: 53.782 °C
• PSA: 53.35000
• Density: 0.994 g/cm³
• LogP: 1.69670
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Sparingly)
• Water Solubility.: 114.4-2650mg/L at 25℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 147.07178521
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

95%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=S)OC(C)C
• Uses: O-Isopropyl Ethylthiocarbamate can be used to analyze illicit liquor using HS-GC-MS.

Technology Process of O-Isopropyl ethylthiocarbamate

There total 8 articles about O-Isopropyl ethylthiocarbamate 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: 97.0%

2-propylcarbonothioylthiomethylbenzene (51698-64-7) + sodium monochloroacetic acid (3926-62-3) + ethylamine (75-04-7,85404-22-4) → sodium benzylsulfanylacetate (119812-11-2) + O-isopropyl-N-ethylthionocarbamate (141-98-0)

Guidance literature:

2-propylcarbonothioylthiomethylbenzene; ethylamine; In water; at 70 ℃; for 1h;

sodium monochloroacetic acid; In water; at 70 ℃; for 2h;

Reference yield: 94.0%

sodium isopropylxanthate (140-93-2) + ethylamine (75-04-7,85404-22-4) + chloroacetic acid (79-11-8) → O-isopropyl-N-ethylthionocarbamate (141-98-0) + sodium 2-mercaptoacetate (367-51-1)

Guidance literature:

sodium isopropylxanthate; chloroacetic acid; With sodium carbonate; In water; at 80 ℃; for 2h; pH=8;

ethylamine; In water; at 20 - 70 ℃; for 1h;

Reference yield: 94.0%

sodium isopropylxanthate (140-93-2) + ethylamine (75-04-7,85404-22-4) → O-isopropyl-N-ethylthionocarbamate (141-98-0)

Guidance literature:

sodium isopropylxanthate; With sodium carbonate; chloroacetic acid; In water; at 60 ℃; for 2h; pH=Ca. 8;

ethylamine; In water; at 20 - 70 ℃; for 1h;

upstream raw materials:

sodium isopropylxanthate

ethylamine

diisopropyl xanthogen disulfide

2-propylcarbonothioylthiomethylbenzene

Refernces

• 1、 -. "Method for utilizing byproduct 2-sodium thioglycollate in production process of thionocarbamate". Paragraph 0070-0070. . Retrieved 2019/12/25.
• 2、 -. "Method for preparing thionocarbamates and co-producing 2-mercaptoethanol or O-alkylthioethyl xanthogenate". Paragraph 0097; 0098. . Retrieved 2018/10/11.