S-Ethyl dipropylthiocarbamate

Base Information

• Chemical Name: S-Ethyl dipropylthiocarbamate
• CAS No.: 759-94-4
• Molecular Formula: C9H19NOS
• Molecular Weight: 189.322
• Hs Code.: 29302000
• European Community (EC) Number: 212-073-8
• ICSC Number: 0469
• NSC Number: 40486
• UN Number: 2902,2992,2757
• UNII: R7PI3287F4
• DSSTox Substance ID: DTXSID1024091
• Nikkaji Number: J6.966C
• Wikidata: Q424784
• Metabolomics Workbench ID: 67626
• ChEMBL ID: CHEMBL1371350
• Mol file: 759-94-4.mol

Synonyms:Eptam;EPTC;S-ethyl dipropylthiocarbamate

Chemical Property of S-Ethyl dipropylthiocarbamate

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 0.0173mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: 1.479
• Boiling Point: 254.4 °C at 760 mmHg
• PKA: -1.22±0.70(Predicted)
• Flash Point: 107.7 °C
• PSA: 45.61000
• Density: 0.968 g/cm³
• LogP: 2.98150
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 0.375 g/100 mL
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 189.11873540
• Heavy Atom Count: 12
• Complexity: 122
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

EPTC ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 2-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Thiocarbamate
• Canonical SMILES: CCCN(CCC)C(=O)SCC
• 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 central nervous system.
• Uses: Selective systemic herbicide used for preemergence control of perennial and annual grasses such as johnsongrass, nutgrass and quackgrass. Also for control of some broadleaved weeds such as chickweed, henbit, lambsquarters, pigweed and purslane. EPTC is also used in vegetable crops, alfalfa, cotton, flax, pineapple, almonds and walnuts. EPTC is a pesticide, S-Ethyl-N,N-dipropylthiocarbamate. A preemergence herbicide.

Technology Process of S-Ethyl dipropylthiocarbamate

There total 15 articles about S-Ethyl dipropylthiocarbamate 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: 99.1%

chloroethane (75-00-3) + N,N-dipropylcarbamothioate sodium salt (62806-88-6) → S-ethyl N,N-di-n-propylthiocarbamate (759-94-4)

Guidance literature:

In water; at 80 ℃; for 0.25h; in ultrasonic field;

Reference yield: 94.0%

di-n-propylammonium hydrogen sulphate (908126-51-2) + sodium O-ethyl dithiocarbonate (140-90-9) → S-ethyl N,N-di-n-propylthiocarbamate (759-94-4)

Guidance literature:

di-n-propylammonium hydrogen sulphate; sodium O-ethyl dithiocarbonate; With dihydrogen peroxide; In water; at 40 ℃; for 1h; Green chemistry;

With sulfuric acid; In water; at 70 ℃; for 1h; pH=7; Green chemistry;

DOI:10.1007/s00706-013-1083-7

Reference yield: 85.1%

S-vinyl N,N-di(n-propyl)-thiolcarbamate (101622-02-0) → S-ethyl N,N-di-n-propylthiocarbamate (759-94-4)

Guidance literature:

aluminum nickel; In methanol;

upstream raw materials:

carbon monoxide

ethyl iodide

di-n-propylamine

Dipropyl-thiocarbamic acid; compound with dipropyl-amine

Downstream raw materials:

S-ethyl dipropylthiocarbamate S,S-dioxide

N,N-dipropylcarbamoyl chloride

Refernces

• 1、 -. "LIQUID FORMULATIONS". . . Retrieved 2011/06/28.
• 2、 Mizuno, Takumi,Iwai, Toshiyuki,Ishino, Yoshio. "Solvent-assisted thiocarboxylation of amines and alcohols with carbon monoxide and sulfur under mild conditions". . p. 9157 - 9163. Retrieved 2007/10/03.