tert-Butyl peroxybenzoate supplier

Name
tert-Butyl peroxybenzoate
EINECS 210-382-2
CAS No. 614-45-9
Article Data46
CAS DataBase
Density 1.059 g/cm³
Solubility Immiscible
Melting Point 8 °C
Formula C₁₁H₁₄O₃
Boiling Point 282.4 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 109.7 °C
Transport Information UN 3103 5.2
Appearance colourless or slightly yellow liquid
Safety 7-14-36/37/39-47-37-17
Risk Codes 7-38-2
Molecular Structure
Hazard Symbols O, Xi, E
Synonyms Perbutyl Z;Benzenecarboperoxoic acid, 1,1-dimethylethyl ester;Terc.butylperbenzoan;Kayabutyl B;Perbenzoic acid, tert-butyl ester;4-09-00-00715 (Beilstein Handbook Reference);Benzenecarboperoxoic acid,1,1-dimethylethyl ester;tert-Butyl peroxy benzoate;Tert butyl peroxybenzoute;terc.Butylester kyseliny peroxybenzoove [Czech];Novox;CP 02 (catalyst);Esperox 10;Luperox P;Peroxybenzoic acid, tert-butyl ester;Benzoyl tert-butyl peroxide;t-Butyl peroxy benzoate;Trigonox C;terc.Butylperbenzoan [Czech];tert-Butyl perbenzoate;tert-Butylperoxybenzoate;
PSA 35.53000
LogP 2.57350

Synthetic route

: 98-88-4
benzoyl chloride

: 75-65-0
tert-butyl alcohol

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
Stage #1: tert-butyl alcohol With sodium hydroxide at 15 - 20℃; for 1h; Stage #2: benzoyl chloride at 10 - 15℃; for 1.5h; Temperature;	98.3%

: 75-91-2
tert.-butylhydroperoxide

: 100-51-6
benzyl alcohol

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 40℃; for 16h; Temperature; Solvent; Reagent/catalyst;	98%
With potassium iodide In water at 40℃; for 0.0166667h; Flow reactor;	82%
With oxygen; tetra-(n-butyl)ammonium iodide In decane; water at 20℃; for 16h; Inert atmosphere;	81%

: 75-91-2
tert.-butylhydroperoxide

: 98-88-4
benzoyl chloride

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With sodium hydroxide In water at 11 - 12℃;	95.3%
With sodium hydroxide In water at 11 - 12℃; Product distribution / selectivity; Industry scale;	95.3%
With potassium hydroxide

: 75-91-2
tert.-butylhydroperoxide

: 100-52-7
benzaldehyde

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 40℃; for 24h;	84%
With potassium iodide In water at 40℃; for 0.0166667h; Flow reactor;	84%
With tris(2,2'-bipyridyl)ruthenium dichloride In decane; acetonitrile at 20℃; for 36h; Molecular sieve; Irradiation; Inert atmosphere;	62%
With tetrabutylammomium bromide In water at 40℃; Mechanism;	10%

: 75-91-2
tert.-butylhydroperoxide

: 110-05-4
di-tert-butyl peroxide

: 100-52-7
benzaldehyde

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water for 2h; Reagent/catalyst; Wavelength; Irradiation; Green chemistry;	83%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 108-88-3
toluene

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With potassium iodide In water at 40℃; for 0.0166667h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Flow reactor; Green chemistry;	81%

: 75-91-2
tert.-butylhydroperoxide

: 140-29-4
phenylacetonitrile

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With copper diacetate In neat (no solvent) at 20℃; for 5h; Reagent/catalyst; Solvent; Green chemistry;	80%

: 75-91-2
tert.-butylhydroperoxide

: 100-51-6
benzyl alcohol

A: 614-45-9
tert-Butyl peroxybenzoate

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water; benzonitrile at 40℃; for 24h; Schlenk technique; Sealed tube;	A 28% B 57%
With C24H26ClN4Ru(1+)*CF3O3S(1-) In water at 20℃; for 3h; Reagent/catalyst;	A 35% B 53%
With 6Cl(1-)2C41H34N7O2(2+)Ru(2+)*2C48H48N32O16 In hexane at 50℃; for 5h;	A 49 %Chromat. B 49 %Chromat.

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 106-63-8
isobutyl acrylate

: 100-52-7
benzaldehyde

A: 614-45-9
tert-Butyl peroxybenzoate

B: isobutyl 2-(tert-butylperoxy)-4-oxo-4-phenylbutanoate

C: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} In 1,2-dichloro-ethane at 20℃; for 6h; Inert atmosphere;	A n/a B 42% C n/a

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 110-05-4
di-tert-butyl peroxide

: 100-51-6
benzyl alcohol

: 614-45-9
tert-Butyl peroxybenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water for 2h; Irradiation; Green chemistry;	31%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 93-97-0
benzoic acid anhydride

A: 614-45-9
tert-Butyl peroxybenzoate

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
In benzene at 50℃; Rate constant;

...Expand

: 134-81-6
benzil

A: 614-45-9
tert-Butyl peroxybenzoate

B: 774-65-2
benzoic acid tert-butyl ester

Conditions

Conditions	Yield
With di(tert.-butoxy)-tert.-butylperoxyaluminum In benzene for 72h; Product distribution; Mechanism; Ambient temperature; other conditions: other temperatures, other times;

: 451-40-1
phenyl benzyl ketone

: 75-91-2
tert.-butylhydroperoxide

: 556-91-2
aluminum tri-tert-butoxide

A: 614-45-9
tert-Butyl peroxybenzoate

B: 774-65-2
benzoic acid tert-butyl ester

C: 100-52-7
benzaldehyde

D: 67-64-1
acetone

E: 65-85-0
benzoic acid

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; multistep reaction; various temperature and reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 2893-05-2
3-methyl-1-phenylbutan-2-one

: 556-91-2
aluminum tri-tert-butoxide

A: 103-82-2
phenylacetic acid

B: 614-45-9
tert-Butyl peroxybenzoate

C: 100-52-7
benzaldehyde

D: 64-19-7
acetic acid

E: 65-85-0
benzoic acid

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; multistep reaction; various temperature and reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 556-91-2
aluminum tri-tert-butoxide

: 103-79-7
1-phenyl-acetone

A: 614-45-9
tert-Butyl peroxybenzoate

B: 107-71-1
tert-butyl peroxyacetate

C: 100-52-7
benzaldehyde

D: 64-19-7
acetic acid

E: 65-85-0
benzoic acid

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; multistep reaction; various temperature and reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 556-91-2
aluminum tri-tert-butoxide

: 102-04-5
1,3-Diphenylpropanone

A: 614-45-9
tert-Butyl peroxybenzoate

B: 16537-09-0
t-butyl phenylacetate

C: 774-65-2
benzoic acid tert-butyl ester

D: 3377-89-7
t-butyl phenylperacetate

E: 100-52-7
benzaldehyde

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; multistep reaction; various temperature and reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 15206-55-0
methyl 2-oxo-2-phenylacetate

: 556-91-2
aluminum tri-tert-butoxide

A: 67-56-1
methanol

B: 614-45-9
tert-Butyl peroxybenzoate

C: 124-38-9
carbon dioxide

D: 65-85-0
benzoic acid

E: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 120h; Product distribution; Mechanism; other temperature, reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 140-11-4
Benzyl acetate

: 556-91-2
aluminum tri-tert-butoxide

A: 614-45-9
tert-Butyl peroxybenzoate

B: 540-88-5
acetic acid tert-butyl ester

C: 107-71-1
tert-butyl peroxyacetate

D: 64-19-7
acetic acid

E: 65-85-0
benzoic acid

F: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 3h; Product distribution; Mechanism;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 4358-87-6
(RS)-methyl mandelate

: 556-91-2
aluminum tri-tert-butoxide

A: 67-56-1
methanol

B: 15206-55-0
methyl 2-oxo-2-phenylacetate

C: 614-45-9
tert-Butyl peroxybenzoate

D: 124-38-9
carbon dioxide

E: 65-85-0
benzoic acid

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 72h; Product distribution; Mechanism;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 556-91-2
aluminum tri-tert-butoxide

: 93-97-0
benzoic acid anhydride

A: 614-45-9
tert-Butyl peroxybenzoate

B: 540-88-5
acetic acid tert-butyl ester

C: 107-71-1
tert-butyl peroxyacetate

D: 774-65-2
benzoic acid tert-butyl ester

Conditions

Conditions	Yield
In benzene at 20℃; for 5h; Product distribution; Mechanism; other reagent;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 556-91-2
aluminum tri-tert-butoxide

: 101-41-7
benzeneacetic acid methyl ester

A: 67-56-1
methanol

B: 15206-55-0
methyl 2-oxo-2-phenylacetate

C: 614-45-9
tert-Butyl peroxybenzoate

D: 124-38-9
carbon dioxide

E: 65-85-0
benzoic acid

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 120h; Product distribution; Mechanism; other temperature, reaction time;

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 538-86-3
benzyl methyl ether

A: 93-58-3
benzoic acid methyl ester

B: 614-45-9
tert-Butyl peroxybenzoate

C: 774-65-2
benzoic acid tert-butyl ester

Conditions

Conditions	Yield
With aluminum tri-tert-butoxide In benzene at 20℃; for 72h; Oxidation;	A 0.07 mol B 0.11 mol C 0.02 mol

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 5670-78-0
ethyl diphenylmethyl ether

A: 119-61-9
benzophenone

B: 614-45-9
tert-Butyl peroxybenzoate

C: 93-89-0
benzoic acid ethyl ester

D: 108-95-2
phenol

Conditions

Conditions	Yield
With aluminum tri-tert-butoxide In benzene at 20℃; for 72h; Oxidation;	A 0.53 mol B 0.10 mol C 0.11 mol D 0.06 mol

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 26059-49-4
benzyl diphenylmethyl ether

A: 614-45-9
tert-Butyl peroxybenzoate

B: 120-51-4
benzoic acid benzyl ester

C: 100-52-7
benzaldehyde

D: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With aluminum tri-tert-butoxide In benzene at 20℃; for 72h; Oxidation;	A 0.02 mol B 0.06 mol C 0.06 mol D 0.46 mol

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 103-50-4
dibenzyl ether

A: 614-45-9
tert-Butyl peroxybenzoate

B: 774-65-2
benzoic acid tert-butyl ester

C: 120-51-4
benzoic acid benzyl ester

D: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With aluminum tri-tert-butoxide In benzene at 20℃; for 96h; Oxidation; Further byproducts given;	A 0.16 mol B 0.02 mol C 0.20 mol D 0.12 mol

...Expand

: 538-86-3
benzyl methyl ether

: 15806-38-9
phenyl 3-methylbutanoate

: 556-91-2
aluminum tri-tert-butoxide

A: 67-56-1
methanol

B: 64-18-6
formic acid

C: 614-45-9
tert-Butyl peroxybenzoate

D: 65-85-0
benzoic acid

Conditions

Conditions	Yield
In benzene at 20℃; for 96h; Product distribution; Oxidation;	A 0.16 mol B 0.23 mol C 0.11 mol D 0.25 mol

...Expand

: 5670-78-0
ethyl diphenylmethyl ether

: 15806-38-9
phenyl 3-methylbutanoate

: 556-91-2
aluminum tri-tert-butoxide

A: 614-45-9
tert-Butyl peroxybenzoate

B: 64-17-5
ethanol

C: 93-89-0
benzoic acid ethyl ester

D: 64-19-7
acetic acid

Conditions

Conditions	Yield
In benzene at 20℃; for 96h; Product distribution; Oxidation;	A 0.10 mol B 0.30 mol C 0.17 mol D 0.12 mol

...Expand

: 26059-49-4
benzyl diphenylmethyl ether

: 15806-38-9
phenyl 3-methylbutanoate

: 556-91-2
aluminum tri-tert-butoxide

A: 614-45-9
tert-Butyl peroxybenzoate

B: 65-85-0
benzoic acid

C: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 96h; Product distribution; Oxidation;	A 0.02 mol B 0.46 mol C 0.13 mol

...Expand

: 103-50-4
dibenzyl ether

: 15806-38-9
phenyl 3-methylbutanoate

: 556-91-2
aluminum tri-tert-butoxide

A: 614-45-9
tert-Butyl peroxybenzoate

B: 65-85-0
benzoic acid

C: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
In benzene at 20℃; for 96h; Product distribution; Oxidation;	A 0.16 mol B 0.51 mol C 0.12 mol

...Expand

: 1016-09-7
benzhydryl methyl ether

: 15806-38-9
phenyl 3-methylbutanoate

: 556-91-2
aluminum tri-tert-butoxide

A: 93-58-3
benzoic acid methyl ester

B: 119-61-9
benzophenone

C: 614-45-9
tert-Butyl peroxybenzoate

D: 108-95-2
phenol

Conditions

Conditions	Yield
In benzene at 20℃; for 96h; Product distribution; Oxidation;	A 0.19 mol B 0.54 mol C 0.11 mol D 0.05 mol

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 644-97-3
Dichlorophenylphosphine

: 79-10-7
acrylic acid

: 71-36-3
butan-1-ol

: 14576-56-8
butyl 3-[butoxy(phenyl)phosphinyl]propionate

Conditions

Conditions	Yield
	97%

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 124-22-1
n-Dodecylamine

: 33140-65-7
N-dodecylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 2h; chemoselective reaction;	97%

: 614-45-9
tert-Butyl peroxybenzoate

: 39895-55-1
4-(1,1-dimethylethyl)-benzenemethanamine

: 1334676-88-8
N-(4-(tert-butyl)benzyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	97%

: 614-45-9
tert-Butyl peroxybenzoate

: 5813-64-9
2,2-dimethylpropylamine

: 54449-47-7
N-2,2-dimethylpropylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 6h; chemoselective reaction;	96%

: 614-45-9
tert-Butyl peroxybenzoate

: 108-91-8
cyclohexylamine

: 1759-68-8
N-benzoylcyclohexylamine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 3h; chemoselective reaction;	96%

: 614-45-9
tert-Butyl peroxybenzoate

: 2393-23-9
4-methoxy-benzylamine

: 41882-10-4
N-(4-methoxybenzyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	96%

: 614-45-9
tert-Butyl peroxybenzoate

: 853-23-6
prasterone acetate

: Benzoic acid (3S,7S,8R,9S,10R,13S,14S)-3-acetoxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl ester

Conditions

Conditions	Yield
Stage #1: prasterone acetate With copper(I) bromide In dichloromethane for 0.25h; Heating; Stage #2: tert-Butyl peroxybenzoate In dichloromethane Heating;	95%

: 614-45-9
tert-Butyl peroxybenzoate

: 67538-56-1
methanephosphonous acid mono-n-butyl ester

: 2114-14-9
methallyl carbamate

: (3-carbamoyloxy-2-methyl-propyl)methyl-phosphinic acid n-butyl ester

Conditions

Conditions	Yield
	95%

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 55-21-0
benzamide

Conditions

Conditions	Yield
With ammonium hydroxide In neat (no solvent) at 20℃; for 6h; chemoselective reaction;	95%

: 3731-53-1
4-(aminomethyl)pyridine

: 614-45-9
tert-Butyl peroxybenzoate

: 3820-26-6
N-benzoyl-4-(aminomethyl)pyridine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 10h; chemoselective reaction;	95%

: 614-45-9
tert-Butyl peroxybenzoate

: 3218-02-8
cyclohexylmethylamine

: 46721-86-2
Ν-(cyclohexylmethyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 3h; chemoselective reaction;	95%

: 614-45-9
tert-Butyl peroxybenzoate

: 1003-03-8
Cyclopentamine

: 53226-42-9
N-cyclopentylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 3h; chemoselective reaction;	95%

: 614-45-9
tert-Butyl peroxybenzoate

: 100-46-9
benzylamine

: 1485-70-7
N-benzylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 6h; chemoselective reaction;	95%

: 614-45-9
tert-Butyl peroxybenzoate

: 501-65-5
diphenyl acetylene

: 1684-07-7
3,4-diphenyl-isochromen-1-one

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium pivalate; Trimethylacetic acid at 80℃; for 18h; Inert atmosphere; Schlenk technique;	95%
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium pivalate; Trimethylacetic acid In 2,2,2-trifluoroethanol at 80℃; for 18h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	93%

: 3731-52-0
3-Aminomethylpyridine

: 614-45-9
tert-Butyl peroxybenzoate

: N-(3-pyridinylmethyl)-benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 617-89-0
furan-2-ylmethanamine

: 3952-30-5
N-(2-furylmethyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 10h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 109-73-9
N-butylamine

: 2782-40-3
N-butylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 6h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 103-67-3
benzyl-methyl-amine

: 61802-83-3
N-methyl-N-benzylbenzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 10h; chemoselective reaction;	94%

: 110-89-4
piperidine

: 614-45-9
tert-Butyl peroxybenzoate

: 776-75-0
N-benzoylpiperidine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 4403-71-8
(4-aminomethyl)aniline

: 32478-65-2
N-(4'-Aminobenzyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 14h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 140-75-0
para-fluorobenzylamine

: 223375-04-0
Ν-(4-fluorobenzyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 10h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 10406-25-4
4-aminobenzyl cyanide

: N-[(p-cyanophenyl)methyl]benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	94%

: 614-45-9
tert-Butyl peroxybenzoate

: 98-86-2
acetophenone

: 33868-50-7
phenacyl benzoate

Conditions

Conditions	Yield
With iodine; sodium carbonate In acetonitrile at 70℃; for 24h;	94%
With iodine; sodium carbonate In 1,4-dioxane at 80℃; for 24h;	93%

: 123-75-1
pyrrolidine

: 614-45-9
tert-Butyl peroxybenzoate

: 3389-54-6
n-benzoylpyrrolidine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	93%

: 110-91-8
morpholine

: 614-45-9
tert-Butyl peroxybenzoate

: 1468-28-6
4-benzoylmorpholine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 12h; chemoselective reaction;	93%

: 614-45-9
tert-Butyl peroxybenzoate

: 4403-70-7
m-aminobenzylamine

: 180150-44-1
N-(3-aminobenzyl)benzamide

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 14h; chemoselective reaction;	93%

: 614-45-9
tert-Butyl peroxybenzoate

: 696-60-6
4-aminomethylphenol

: 41859-85-2
N-benzoyl-4-hydroxybenzylamine

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 14h; chemoselective reaction;	93%

tert-Butyl peroxybenzoate Consensus Reports

Reported in EPA TSCA Inventory.

tert-Butyl peroxybenzoate Specification

The tert-Butyl perbenzoate is an organic compound with the formula C₁₁H₁₄O₃. The IUPAC name of this chemical is tert-butyl benzenecarboperoxoate. With the CAS registry number 614-45-9, it is also named as 2-Methyl-2-propanyl benzenecarboperoxoate. The product's category is Organics. Besides, it is a colourless or slightly yellow liquid, which should be stored in a cool and ventilated place. It is used as the crosslinker of anaerobic initiator and rubber adhesive. This chemical can be also used as the curing initiator of unsaturated polyester resins, and the polymerization catalyst of high-pressure polyethylene, polystyrene and diallyl phthalate.

Physical properties about tert-Butyl perbenzoate are: (1)ACD/LogP: 2.941; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)ACD/BCF (pH 5.5): 101.19; (5)ACD/BCF (pH 7.4): 101.19; (6)ACD/KOC (pH 5.5): 948.14; (7)ACD/KOC (pH 7.4): 948.14; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 53.636 cm³; (12)Molar Volume: 183.257 cm³; (13)Polarizability: 21.263 10-24cm³; (14)Surface Tension: 35.1580009460449 dyne/cm; (15)Density: 1.06 g/cm³; (16)Flash Point: 109.735 °C ; (17)Enthalpy of Vaporization: 52.125 kJ/mol; (18)Boiling Point: 282.39 °C at 760 mmHg; (19)Vapour Pressure: 0.00300000002607703 mmHg at 25°C

Preparation of tert-Butyl perbenzoate : This chemical can be prepared by Sodium hydroxide and Tert-butyl peroxide. This reaction will need reagent Chloride.

Uses of tert-Butyl perbenzoate: it can be used to produce 3-benzoyloxy-cyclohex-1-ene at temperature of 80 °C. It will need catalyst Cu-Na-HSZ-320 zeolite with reaction time of 22 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is risk of explosion by shock, friction, fire or other sources of ignition and may cause fire. Please keep away from combustible material and keep container tightly closed. Besides, this chemical is irritating to skin.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3;
(2)InChIKey=GJBRNHKUVLOCEB-UHFFFAOYSA-N;
(3)Smilesc1(C(OOC(C)(C)C)=O)ccccc1The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC	inhalation	> 57mg/m3/4H (57mg/m3)		Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968.
mouse	LD50	oral	914mg/kg (914mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NECROTIC GHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968.
rat	LC	inhalation	> 57mg/m3/4H (57mg/m3)		Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968.
rat	LD50	oral	1012mg/kg (1012mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.

Product Name

tert-Butyl peroxybenzoate

Synthetic route

tert-Butyl peroxybenzoate Consensus Reports

tert-Butyl peroxybenzoate Specification

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