Piperonyl butoxide

Base Information

• Chemical Name: Piperonyl butoxide
• CAS No.: 51-03-6
• Deprecated CAS: 12750-92-4
• Molecular Formula: C19H30O5
• Molecular Weight: 338.444
• Hs Code.: 29329990
• European Community (EC) Number: 200-076-7
• ICSC Number: 1347
• NSC Number: 8401
• UN Number: 2810
• UNII: LWK91TU9AH
• DSSTox Substance ID: DTXSID1021166
• Nikkaji Number: J25.378B
• Wikipedia: Piperonyl_butoxide
• Wikidata: Q420891
• NCI Thesaurus Code: C29849
• RXCUI: 8345
• Metabolomics Workbench ID: 54679
• ChEMBL ID: CHEMBL1201131
• Mol file: 51-03-6.mol

Synonyms:Butoxide, Piperonyl;Piperonyl Butoxide

Chemical Property of Piperonyl butoxide

Chemical Property:

• Appearance/Colour: amber coloured liquid
• Vapor Pressure: 1.16E-10mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: 1.4985 - 1.510
• Boiling Point: 496.1 °C at 760 mmHg
• Flash Point: 253.8 °C
• PSA: 46.15000
• Density: 1.066 g/cm³
• LogP: 3.71770
• Storage Temp.: 0-6°C
• Solubility.: water: slightly soluble0.0289g/L at 20.4°C
• Water Solubility.: <0.1 g/100 mL at 18℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 338.20932405
• Heavy Atom Count: 24
• Complexity: 312
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Piperonyl butoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N,T
• Hazard Codes: N,T
• Statements: 50/53-51/53-24
• Safety Statements: 60-61-45-36/37/39-28A

MSDS Files:

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
• Recent ClinicalTrials: Crossover Study to Evaluate the Effect of Lemborexant Versus Placebo and Zolpidem on Postural Stability, Auditory Awakening Threshold, and Cognitive Performance in Healthy Subjects 55 Years and Older
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Description: Piperonyl butoxide (PBO) is a water insoluble colorless to pale yellow liquid that was developed in the 1940s to increase the effectiveness of various pesticides. It is currently registered as an active ingredient in more than 1500 products used for indoor or outdoor pesticides, including agricultural maintenance of some food crops.
• Uses: Piperonyl butoxide is used as a synergist for pyrethrins and their synthetic analogues. Insecticide synergist, especially for pyrethroids and rotenone PBO is a pesticide synergist. It is typically added to carbamate, pyrethrin, pyrethroid, and rotenone pesticides to greatly enhance their potency. PBO alone does not have pesticidal properties.

Technology Process of Piperonyl butoxide

There total 7 articles about Piperonyl butoxide 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: 75.0%

5-(chloromethyl)-6-propyl-1,3-benzodioxole (1938-32-5) + Diethylene glycol monobutyl ether (112-34-5,9004-77-7) → Piperonyl butoxide (51-03-6)

Guidance literature:

Diethylene glycol monobutyl ether; With sodium hydroxide; In water; Reflux;

5-(chloromethyl)-6-propyl-1,3-benzodioxole; In water; for 5h; Reflux;

DOI:10.1007/s11164-011-0333-8

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + dihydrosafrole (94-58-6) + Diethylene glycol monobutyl ether (112-34-5,9004-77-7) → Piperonyl butoxide (51-03-6)

Guidance literature:

formaldehyd; With hydrogenchloride; In water; at 30 ℃; for 3h;

dihydrosafrole; With sodium hydroxide; In water; at 30 ℃;

Diethylene glycol monobutyl ether; at 30 ℃;

Reference yield:

5-(chloromethyl)-6-propyl-1,3-benzodioxole (1938-32-5) → Piperonyl butoxide (51-03-6)

Guidance literature:

With benzene;

upstream raw materials:

5-(chloromethyl)-6-propyl-1,3-benzodioxole

dihydrosafrole

Diethylene glycol monobutyl ether

formaldehyd

Downstream raw materials:

5-(chloromethyl)-6-propyl-1,3-benzodioxole

Refernces

• 1、 -. "AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES". Paragraph 0075. . Retrieved 2020/12/30.
• 2、 -. "Process for the functionalization of organic molecules". . . Retrieved 2008/06/13.