Propoxur

Base Information

• Chemical Name: Propoxur
• CAS No.: 114-26-1
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• Hs Code.: 2922499912
• European Community (EC) Number: 204-043-8
• ICSC Number: 0191
• NSC Number: 755890,379584
• UN Number: 2757
• UNII: BFH029TL73
• DSSTox Substance ID: DTXSID7021948
• Nikkaji Number: J2.893B
• Wikipedia: Propoxur
• Wikidata: Q411303
• NCI Thesaurus Code: C82221
• Pharos Ligand ID: LX78TJRFZ9PB
• Metabolomics Workbench ID: 55052
• ChEMBL ID: CHEMBL446060
• Mol file: 114-26-1.mol

Synonyms:Aprocarb;Baygon;O Isopropoxyphenylmethylcarbamate;O-Isopropoxyphenylmethylcarbamate;Propoxur;Sendran;Unden

Chemical Property of Propoxur

Chemical Property:

• Appearance/Colour: White to tan crystalline powder
• Vapor Pressure: 0.00153mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.502
• Boiling Point: 295.445 °C at 760 mmHg
• Flash Point: 132.481 °C
• PSA: 47.56000
• Density: 1.083 g/cm³
• LogP: 2.58290
• Water Solubility.: Slightly soluble. 0.2 g/100 mL
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 206
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T:Toxic;;
• Statements: R25:; R50/53:
• Safety Statements: S37:; S45:; S60:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Carbamate Insecticides
• Canonical SMILES: CC(C)OC1=CC=CC=C1OC(=O)NC
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance may cause effects on the nervous system by a cholinesterase inhibiting effect. This may result in convulsions and respiratory depression. Exposure could cause death.
• Effects of Long Term Exposure: Cholinesterase inhibition. Cumulative effects are possible. See Acute Hazards/Symptoms. Tumours have been detected in experimental animals but may not be relevant to humans.

Technology Process of Propoxur

There total 4 articles about Propoxur 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: 99.0%

2-Isopropoxyphenol (4812-20-8) + methyl isocyanate (624-83-9) → Propoxur (114-26-1)

Guidance literature:

With N,N'-dimethylbenzylamine; at 60 - 90 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield:

Ethyl N-methylcarbamate (105-40-8) + 2-Isopropoxyphenol (4812-20-8) → Propoxur (114-26-1)

Guidance literature:

With trichlorophosphate; In 1,1-dichloroethane;

Reference yield:

→ Propoxur (114-26-1)

Guidance literature:

DOI:10.1021/jf60143a025

upstream raw materials:

Ethyl N-methylcarbamate

2-Isopropoxyphenol

methyl isocyanate

Downstream raw materials:

2-Isopropoxyphenol

C₉H₁₁O₂^(1-)*Na⁽¹⁺⁾

C₉H₁₁O₂^(1-)

2-isopropoxyphenyl [[(diethoxyphosphinothioyl)phenylamino]thio]methylcarbamate

Refernces

• 1、 -. "SYSTEM FOR PROTECTING GOODS DURING TRANSPORT". . . Retrieved 2013/02/28.
• 2、 -. "Active agent combinations". . . Retrieved 2008/06/13.