141-98-0

Basic information

• Product Name: O-isopropyl ethylthiocarbamate
• Synonyms: O-isopropyl ethylthiocarbamate;Carbamothioic acid, ethyl-, O-(1-methylethyl) ester;Ethylthiocarbaminsure-O-isopropylester;ethyl-carbamothioic acid o-(1-methylethyl) ester;N-Ethylthionocarbamic acid O-isopropyl ester;isopropyl ethyl thioncarbamate;CarbaMothioic acid,N-ethyl-, O-(1-Methylethyl) ester
• CAS NO: 141-98-0
• Molecular Formula: C₆H₁₃NOS
• Molecular Weight: 147.23852
• EINECS: 205-517-7
• Product Categories: Beneficiation Reagent;Thionocarbamate
• Mol File: 141-98-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 165.317 °C at 760 mmHg
• Flash Point: 53.782 °C
• Appearance: /
• Density: 0.994 g/cm³
• Vapor Pressure: 1.88mmHg at 25°C
• Refractive Index: 1.484
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Sparingly), Methanol (Sparingly)
• PKA: 14.50±0.70(Predicted)
• Water Solubility: 114.4-2650mg/L at 25℃
• CAS DataBase Reference: O-isopropyl ethylthiocarbamate(CAS DataBase Reference)
• NIST Chemistry Reference: O-isopropyl ethylthiocarbamate(141-98-0)
• EPA Substance Registry System: O-isopropyl ethylthiocarbamate(141-98-0)

Safety Data

• Hazardous Substances Data: 141-98-0(Hazardous Substances Data)

Usage

Uses

O-Isopropyl Ethylthiocarbamate can be used to analyze illicit liquor using HS-GC-MS.

InChI:InChI=1/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)

Synthetic route

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

Conditions	Yield
Stage #1: 2-propylcarbonothioylthiomethylbenzene; ethylamine In water at 70℃; for 1h; Stage #2: sodium monochloroacetic acid In water at 70℃; for 2h;	A n/a B 97%

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

Conditions	Yield
Stage #1: sodium isopropylxanthate With sodium carbonate; chloroacetic acid In water at 60℃; for 2h; pH=Ca. 8; Stage #2: ethylamine In water at 20 - 70℃; for 1h;	94%
With palladium supported titanium-hexagonal mesoporous silica-10 In water at 75℃; for 10h; Reagent/catalyst; Solvent;	93%

nickel(II) sulphate + sodium isopropylxanthate (140-93-2) + ethylamine (75-04-7) → O-isopropyl-N-ethylthionocarbamate (141-98-0)

Conditions	Yield
In water	69%

diisopropyl xanthogen disulfide (105-65-7) + ethylamine (75-04-7) → C2H7N*C4H8OS2 + O-isopropyl-N-ethylthionocarbamate (141-98-0)

Conditions	Yield
With sodium hypochlorite In water

2-propylcarbonothioylthiomethylbenzene (51698-64-7) + ethylamine (75-04-7) → O-isopropyl-N-ethylthionocarbamate (141-98-0) + phenylmethanethiol (100-53-8)

Conditions	Yield
at 70℃; for 2h;
In water at 70℃; for 2h;

O-isopropyl-S-hydroxyethylxanthate + ethylamine (75-04-7) → O-isopropyl-N-ethylthionocarbamate (141-98-0) + 2-hydroxyethanethiol (60-24-2)

Conditions	Yield
In water at 70℃; for 1h;

Upstream product

• 140-93-2 sodium isopropylxanthate 
• 75-04-7 ethylamine 
• 105-65-7 diisopropyl xanthogen disulfide 
• 51698-64-7 2-propylcarbonothioylthiomethylbenzene 
• 3926-62-3 sodium monochloroacetic acid 
• 79-11-8 chloroacetic acid 

Relevant articles and documents

High-value utilization method of sodium 2-mercaptoacetate in thionocarbamate production tail liquid

The invention belongs to wastewater treatment, and particularly discloses a high-value utilization method of sodium 2-mercaptoacetate in thionocarbamate production tail liquid. According to the method, sodium 2-mercaptoacetate in the thionocarbamate production tail liquid is used as a raw material and reacts with thiocyanate and a halogenating reagent to obtain the S-carboxyethyl-N-alkanoyl dithiocarbamate. The method is simple to operate and high in efficiency, solves the problem that the sodium 2-mercaptoacetate in the thionocarbamate production tail liquid is difficult to recover, and can realize high-value utilization of the sodium 2-mercaptoacetate.

Co-production method of thionocarbamate and benzyl thioether acetic acid and application of the method

The invention discloses a co-production method of thionocarbamate and benzyl thioether acetic acid and application of the method. The method comprises the following steps: with xanthate and benzyl chloride as initial raw materials, and performing esterification reaction to obtain benzyl xanthate; carrying out ammonolysis on benzyl xanthate by using primary amine to obtain thionocarbamate and benzyl mercaptan; further adding sodium chloroacetate into the mixture for reaction, thus generating benzyl thioether sodium acetate; finally, performing liquid separation to obtain the thionocarbamate collecting agent and a water phase containing benzyl thioether sodium acetate. The benzyl thioether sodium acetate-containing water phase can further react with benzyl chloride to obtain benzyl thioetherbenzyl acetate or be acidified and esterified with fatty alcohol to generate benzyl thioether alkyl acetate, and the two ester compounds can be subjected to hydroximation to synthesize benzyl thioether ethyl hydroximic acid. The method solves the problems of difficult recovery, difficult utilization and unpleasant smell of the byproduct sulfhydryl compound in the traditional thionocarbamate process, realizes co-production of benzyl thioether acetic acid and derivatives thereof, and improves the reaction efficiency.

Method for producing thionocarbamate and dibenzyl disulfide

The invention discloses a method for producing thionocarbamate and dibenzyl disulfide. The method comprises the following steps: carrying out an esterification reaction on alkyl xanthate and benzyl halide to obtain alkyl benzyl xanthate; carrying out an aminolysis reaction on the alkyl benzyl xanthate and fatty amine to obtain a thionocarbamate and benzyl mercaptan mixture; and carrying out an oxidation reaction on the thionocarbamate and benzyl mercaptan mixture and hydrogen peroxide, and carrying out liquid-solid separation to obtain a solid which is the dibenzyl disulfide product and a liquid, and allowing the liquid to stand for oil and water layering in order to obtain an oil phase which is the thionocarbamate product. The dibenzyl disulfide product and thionocarbamate product obtained through the method have high yield and high purity, and the method has the advantages of easiness in separation of the products in the preparation process, environmental protection, high atom economy property, low production cost, and easiness in realization of industrial production.