tert-Butyl peroxybenzoate

Base Information

• Chemical Name: tert-Butyl peroxybenzoate
• CAS No.: 614-45-9
• Deprecated CAS: 66745-94-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2916.39
• European Community (EC) Number: 210-382-2,946-238-7
• NSC Number: 674
• UN Number: 3106,3103
• UNII: 54E39145KT
• DSSTox Substance ID: DTXSID9024699
• Wikipedia: Tert-Butyl_peroxybenzoate
• Wikidata: Q14469782
• ChEMBL ID: CHEMBL1328092
• Mol file: 614-45-9.mol

Synonyms:peroxybenzoic acid t-butyl ester;tert-butyl peroxybenzoate

Chemical Property of tert-Butyl peroxybenzoate

Chemical Property:

• Appearance/Colour: colourless or slightly yellow liquid
• Vapor Pressure: 3.36 mm Hg ( 50 °C)
• Melting Point: 8 °C
• Refractive Index: 1.4990
• Boiling Point: 282.4 °C at 760 mmHg
• Flash Point: 109.7 °C
• PSA: 35.53000
• Density: 1.059 g/cm³
• LogP: 2.57350
• Storage Temp.: 2-8°C
• Solubility.: water: soluble1.18g/L
• Water Solubility.: Immiscible
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 187
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99% ^*data from raw suppliers

Luperox? P, tert-Butyl peroxybenzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O, Xi, E
• Hazard Codes: O,Xi,E,N
• Statements: 7-38-2-50-43
• Safety Statements: 7-14-36/37/39-47-37-17-61-39-35-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Curing Agents (Aromatic)
• Canonical SMILES: CC(C)(C)OOC(=O)C1=CC=CC=C1
• Uses: Polymerization initiator for polyethylene, polystyrene, polyacrylates, and polyesters; chem- ical intermediate. t-Butyl peroxybenzoate is used for elevatedtemperaturecuring of polyesters and to initiatepolymerization reactions. tert-Butyl peroxybenzoate was employed as polymerization and cross-linking catalyst. It was also was employed as initiator during ?grafting of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-4-oxyacetamido-(3 propyltriethoxysilane) to poly(ethylene co-octene and in preparation of conformal poly(cyclohexyl methacrylate) thin films via initiated chemical vapor deposition.

Technology Process of tert-Butyl peroxybenzoate

There total 44 articles about tert-Butyl peroxybenzoate 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: 98.3%

benzoyl chloride (98-88-4) + tert-butyl alcohol (75-65-0) → tert-Butyl peroxybenzoate (614-45-9)

Guidance literature:

tert-butyl alcohol; With sodium hydroxide; at 15 - 20 ℃; for 1h;

benzoyl chloride; at 10 - 15 ℃; for 1.5h; Temperature;

Reference yield: 98.0%

tert.-butylhydroperoxide (75-91-2) + benzyl alcohol (100-51-6,185532-71-2) → tert-Butyl peroxybenzoate (614-45-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In water; at 40 ℃; for 16h; Temperature; Solvent; Reagent/catalyst;

DOI:10.1039/c5ra27500h

Reference yield: 95.3%

tert.-butylhydroperoxide (75-91-2) + benzoyl chloride (98-88-4) → tert-Butyl peroxybenzoate (614-45-9)

Guidance literature:

With sodium hydroxide; In water; at 11 - 12 ℃;

upstream raw materials:

tert.-butylhydroperoxide

benzoyl chloride

benzoic acid anhydride

benzil

Downstream raw materials:

2-tert-butoxytetrahydrofuran

tetrahydrothiophen-2-yl benzoate

2-bromo-5-t-butoxythiophene

(α-Benzoyloxy-benzyl)-methyl-sulfid

Refernces

• 1、 Samadi, Saadi,Ashouri, Akram,Kamangar, Shadi,Pourakbari, Fatemeh. "2-Aminopyrazine-functionalized MCM-41 nanoporous silica as a new efficient heterogeneous ligand for Cu-catalyzed allylic C–H bonds oxidation of olefins". . p. 557 - 569. Retrieved 2019/11/03.
• 2、 -. "DECOMPOSITION OF ORGANIC PEROXIDES AND HYDROGEN PEROXIDE BY THE IRON THIOLATES AND RELATED COMPLEXES". Paragraph 0725; 0733; 0746-0747. . Retrieved 2020/07/04.