Conditions | Yield |
---|---|
Stage #1: tert-butylamine With potassium sulfate; aluminum isopropoxide at 10℃; for 2h; Stage #2: With nickel(II) fluoride for 4h; Temperature; Concentration; | 98.2% |
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide at 35 - 45℃; for 2h; | 96% |
With dihydrogen peroxide In Petroleum ether at 70 - 80℃; for 4h; Reagent/catalyst; Temperature; | 95.3% |
With sulfuric acid; dihydrogen peroxide at 29 - 39℃; for 2h; Cooling; | |
With dihydrogen peroxide at 60℃; Temperature; Large scale; |
tert.-butylhydroperoxide
Martins sulfurane
A
di-tert-butyl peroxide
B
diphenyl sulfide
C
1,1'-sulfinylbisbenzene
D
diphenyl sulphone
E
1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol
F
isobutene
Conditions | Yield |
---|---|
With 2,2-diphenyl-1-picrylhydrazine In chloroform-d1 at -78℃; Product distribution; chemiluminescence, other peroxides; | A n/a B 2% C 94% D 2% E n/a F n/a |
tert.-butylhydroperoxide
tert-Butyl 2,2,2-trichloroacetimidate
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In pentane 1.) -5 deg C, 15 min, 2.) up to r.t.; | 63% |
tert.-butylhydroperoxide
tert-butyl hydrogen sulfate
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With sulfuric acid |
tert-butyl hydrogen sulfate
A
tert.-butylhydroperoxide
B
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With dihydrogen peroxide at 0℃; | |
With dihydrogen peroxide In water at 25℃; for 7.91667h; Temperature; | A 65.94 %Chromat. B 23.92 %Chromat. |
tert-butyl hydrogen sulfate
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide |
Conditions | Yield |
---|---|
With hydrogen bromide; oxygen at 158℃; | |
With hydrogen bromide; oxygen at 158℃; |
Conditions | Yield |
---|---|
With dihydrogen peroxide; acid | |
With sulfuric acid; water; dihydrogen peroxide |
tert.-butylhydroperoxide
A
methanol
B
di-tert-butyl peroxide
C
acetone
D
isobutene
Conditions | Yield |
---|---|
With antimonypentachloride In acetonitrile at 52℃; Product distribution; Thermodynamic data; other time, other reagents, activation energy of total decomposition and of homolysis; |
tert.-butylhydroperoxide
A
methane
B
di-tert-butyl peroxide
C
acetone
D
isobutene
Conditions | Yield |
---|---|
With perchloric acid; cyclohexanone In acetonitrile at 302℃; Rate constant; Mechanism; kinetic curves of decomposition; in presence of methyl ethyl ketone instead of cyclohexanone; |
tert.-butylhydroperoxide
A
2,2'-oxybis(2-methyl-propane)
B
di-tert-butyl peroxide
C
acetone
D
isobutene
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With vanadia; silica gel In benzene at 60℃; for 2h; Rate constant; Mechanism; other metal catalysts; |
tert.-butylhydroperoxide
A
di-tert-butyl peroxide
B
acetone
C
tert-butyl alcohol
Conditions | Yield |
---|---|
With dicobalt octacarbonyl In benzene at 6 - 8℃; for 0.5h; Product distribution; various amounts of Co2(CO)8, Fe(CO)5; various amounts of educt; | A 1 % Chromat. B 2 % Chromat. C 88 % Chromat. |
With 3,5-di-tert-butyl-1,2-benzoquinone In toluene at 70℃; Reduction; addition; |
Conditions | Yield |
---|---|
cobalt(II) phthalocyanine In various solvent(s) at 40℃; Rate constant; Product distribution; use of iron phthalocyanine, 20 deg C, effects of added various solvents; | |
With water; oxygen In chlorobenzene at 70℃; for 2h; Product distribution; Further Variations:; Reagents; Decomposition; |
tert-butylperoxytrimethylsilane
A
tert.-butylhydroperoxide
B
tertiary butyl chloride
C
di-tert-butyl peroxide
D
Hexamethyldisiloxane
E
isobutene
F
tert-butyl alcohol
Conditions | Yield |
---|---|
With phosphorus trichloride In nonane Kinetics; Mechanism; other solvent : butyl methacrylate; | A 0.56 (unit not given) B 0.04 (unit not given) C 0.11 (unit not given) D 0.46 (unit not given) E 0.09 (unit not given) F 0.04 (unit not given) |
di-t-butyldiazene
A
methanol
B
tert.-butylhydroperoxide
C
di-tert-butyl peroxide
D
acetone
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With oxygen at 59.9℃; Quantum yield; Mechanism; Irradiation; Other temperatures (298, 373 K), the effect of added t-butyl hydroperoxide.; |
tert-butylperoxyl
A
methanol
B
formaldehyd
C
methyl tert-butyl peroxide
D
di-tert-butyl peroxide
E
acetone
F
tert-butyl alcohol
Conditions | Yield |
---|---|
In water at 19.9℃; Rate constant; Product distribution; Mechanism; | A 0.01 mmol B 0.37 mmol C 0.08 mmol D 0.08 mmol E 0.98 mmol F 0.56 mmol |
di-tert-butoxydiazene
di-tert-butyl peroxide
Conditions | Yield |
---|---|
In tert-butyl alcohol at 70℃; var solv.: c-C6D12 at 62.2 degC; cage effect determined; |
di-tert-butyl hyponitrite
A
di-tert-butyl peroxide
B
acetone
C
tert-butyl alcohol
Conditions | Yield |
---|---|
With oxygen; sodium chloride; egg lecithin at 30℃; under 760 Torr; for 600h; Product distribution; other solvent, reagent, concentrations; |
tert-Butyl-(tert-butylphenoxy)peracetat
A
formaldehyd
B
di-tert-butyl peroxide
C
tert-butyl alcohol
Conditions | Yield |
---|---|
In various solvent(s) at 40 - 60℃; Rate constant; Thermodynamic data; E(activ.) and preexponential factor; |
2-tert-butylperoxy-2-methyl-propyl
A
2-methyl-1,2-epoxypropane
B
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With tri-n-butyl-tin hydride In benzene at 24.9℃; Rate constant; Irradiation; |
2,6-Di-tert-butyl-(N-tert-butylnitrono)phenoxyl
A
di-tert-butyl peroxide
B
acetone
C
tert-butyl alcohol
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In benzene for 4h; Product distribution; Ambient temperature; other solvents: chlorbenzene, freone-1,1,3; other temperatures: 70 deg C for 30 min; |
tert.-butylhydroperoxide
A
methanol
B
di-tert-butyl peroxide
C
acetone
D
isobutene
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With aluminium trichloride In ethyl acetate at 69.9℃; Product distribution; Kinetics; Thermodynamic data; variation of temperature, further chlorides of elements of group III or IV; |
Di-t-butyl ketone
A
tetramethyl-2,2,3,3 butane
B
Isobutane
C
di-tert-butyl peroxide
D
isobutene
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With oxygen In decane at 323℃; Product distribution; Mechanism; Kinetics; Irradiation; other temperatures: 348, 373, 398 K; |
azo-t-butane
A
tetramethyl-2,2,3,3 butane
B
Isobutane
C
di-tert-butyl peroxide
D
isobutene
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With oxygen In decane at 323℃; Product distribution; Mechanism; Kinetics; Irradiation; other temperatures: 298, 348 K; |
Conditions | Yield |
---|---|
With [5,10,15,20-tetrakis(heptafluoropropyl)porphinato]iron(II)-(3-fluoropyridine)2; oxygen In benzene at 80℃; under 6464.3 Torr; for 91h; Product distribution; Mechanism; other reagent: (5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(II) bis(3-fluoropyridine) complex; | A 7.8 % Turnov. B 8.1 % Turnov. C 84 % Turnov. |
With oxygen; [5,10,15,20-tetrakis(pentafluorophenyl)porphinato]iron(II)-(3-fluoropyridine)2 In benzene at 80℃; under 6464.3 Torr; for 20h; other catalyst: (5,10,15,20-tetrakis(heptafluoropropyl)porphyrinato)iron(II) bis(3-fluoropyridine) complex; | A 10.3 % Turnov. B 3.6 % Turnov. C 86 % Turnov. |
di-tert-butylhydroperoxide
A
di-tert-butyl peroxide
B
acetone
C
tert-butyl alcohol
Conditions | Yield |
---|---|
In dichloromethane at -20.5 - 17℃; Kinetics; Mechanism; Rate constant; |
tert-butoxy radical
A
methyl radical
B
di-tert-butyl peroxide
C
acetone
Conditions | Yield |
---|---|
In tetrachloromethane at 295℃; Rate constant; other solvents, other temperature; |
sulfuric acid
dihydrogen peroxide
tert-butyl alcohol
A
tert.-butylhydroperoxide
B
di-tert-butyl peroxide
Conditions | Yield |
---|---|
With pyridine In fluorobenzene at 10℃; Kinetics; Temperature; Concentration; | 100% |
Conditions | Yield |
---|---|
Stage #1: di-tert-butyl peroxide; copper hydroxide In water at 60℃; for 0.5h; Inert atmosphere; Stage #2: In water for 5h; Sonication; Inert atmosphere; | 100% |
di-tert-butyl peroxide
4,4-dimethyl-cyclohexanol
ethyl acrylate
8,8-dimethyl-1-oxa-spiro[4.5]decan-2-one
Conditions | Yield |
---|---|
Stage #1: di-tert-butyl peroxide; 4,4-dimethyl-cyclohexanol; ethyl acrylate at 50 - 160℃; for 4.16667h; Stage #2: With sodium hydroxide; water In tert-butyl methyl ether at 40℃; Stage #3: With sulfuric acid In tert-butyl methyl ether; water pH=1; | 96.3% |
titanium(IV) isopropylate
di-tert-butyl peroxide
DIPT
water
phytol
Conditions | Yield |
---|---|
silica gel In diethyl ether; dichloromethane | 95% |
Conditions | Yield |
---|---|
With copper(l) chloride In chlorobenzene at 130℃; for 12h; Schlenk technique; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
With copper(I) bromide In hexane at 50℃; for 5h; Inert atmosphere; | 95% |
tetrahydrofuran
di-tert-butyl peroxide
p-ethoxycarbonylphenyl isocyanate
Conditions | Yield |
---|---|
With copper(l) chloride at 130℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; | 95% |
Conditions | Yield |
---|---|
With palladium diacetate; trifluoroacetic acid In cyclohexane at 100℃; for 0.5h; | 94% |
tetrahydrofuran
di-tert-butyl peroxide
p-trifluoromethyl-phenylisocyanate
Conditions | Yield |
---|---|
With copper(l) chloride at 130℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; | 94% |
Conditions | Yield |
---|---|
With copper(I) bromide In hexane at 50℃; for 5h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
In water at 100℃; for 12h; Sealed tube; | 93% |
With water at 110℃; for 12h; Temperature; Sealed tube; Green chemistry; | 93% |
di-tert-butyl peroxide
[(C5HiPr4)Sm(μ-I)(THF)2]2
(C5HiPr4)SmIOtBu(THF)
Conditions | Yield |
---|---|
In toluene Sm-complex and ligand were loaded in flask, toluene was condensed at -20°C, stirred for 10 min at room temp.; toluene was removed; | 92% |
Conditions | Yield |
---|---|
With copper(I) bromide In hexane at 50℃; for 5h; Inert atmosphere; | 92% |
di-tert-butyl peroxide
sodium 4-methoxybenzenesulfinate
p-anisyl methyl sulfone
Conditions | Yield |
---|---|
In water at 80℃; for 12h; Sealed tube; | 92% |
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 92% |
di-tert-butyl peroxide
sodium 4-bromobenzenesulfinate
4-bromoohenyl methyl sulfone
Conditions | Yield |
---|---|
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 92% |
di-tert-butyl peroxide
1-iodo-4-(methylsulfonyl)benzene
Conditions | Yield |
---|---|
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 92% |
Conditions | Yield |
---|---|
With copper(l) chloride at 130℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; | 92% |
tert.-butylhydroperoxide
di-tert-butyl peroxide
β-naphthaldehyde
tert-butyl naphthalene-2-carboperoxoate
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In water for 2h; Irradiation; Green chemistry; | 92% |
Conditions | Yield |
---|---|
With copper(I) bromide In hexane at 50℃; for 5h; Inert atmosphere; | 91% |
tert.-butylhydroperoxide
di-tert-butyl peroxide
3,4,5-trimethoxy-benzaldehyde
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In water for 2h; Irradiation; Green chemistry; | 91% |
tert.-butylhydroperoxide
di-tert-butyl peroxide
6-methoxynaphthalene-2-carbaldehyde
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In water for 2h; Irradiation; Green chemistry; | 91% |
di-tert-butyl peroxide
4-methyl-benzaldehyde
tert-butyl 4-methylbenzoate
Conditions | Yield |
---|---|
With copper(I) bromide In hexane at 50℃; for 5h; Inert atmosphere; | 90% |
di-tert-butyl peroxide
N-phenyl-N-tosylmethacrylamide
Conditions | Yield |
---|---|
With iron(III) sulfate In fluorobenzene at 115℃; for 8h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Sealed tube; | 90% |
di-tert-butyl peroxide
sodium p-chlorobenzenesulphinate
4-chlorophenyl methyl sulfone
Conditions | Yield |
---|---|
In water at 100℃; for 12h; Sealed tube; | 90% |
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 90% |
di-tert-butyl peroxide
sodium 3-methylbenzenesulfinate
methyl 3-methylphenyl sulfone
Conditions | Yield |
---|---|
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With copper(l) chloride at 130℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; | 90% |
Conditions | Yield |
---|---|
With copper(l) chloride at 130℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Schlenk technique; Glovebox; | 90% |
The IUPAC name of tert-Butyl peroxide is 2-tert-butylperoxy-2-methylpropane. With the CAS registry number 110-05-4, it is also named as Bis(1,1-dimethylethyl)peroxide. The product's categories are Organics; Organic Peroxide; Oxidation; Synthetic Organic Chemistry. It is colourless liquid which is miscible with benzene, petroleum ether and other organic solvents, and immiscible with water. This chemical may decompose explosively if heated, subjected to shock, or treated with reducing agents. When heated to decomposition it emits acrid smoke and fumes. Additionally, it should be sealed in the container and stored in cool, ventilate and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.44; (6)ACD/BCF (pH 7.4): 157.44; (7)ACD/KOC (pH 5.5): 1301.07; (8)ACD/KOC (pH 7.4): 1301.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 42.53 cm3; (14)Molar Volume: 173.4 cm3; (15)Surface Tension: 23 dyne/cm; (16)Enthalpy of Vaporization: 33.52 kJ/mol; (17)Vapour Pressure: 27.3 mmHg at 25°C; (18)Rotatable Bond Count: 3; (19)Exact Mass: 146.13068; (20)MonoIsotopic Mass: 146.13068; (21)Topological Polar Surface Area: 18.5; (22)Heavy Atom Count: 10; (23)Complexity: 80.8.
Preparation of tert-Butyl peroxide: It can be obtained by the reaction of tertiary butanol and hydrogen peroxide in concentrated sulfuric acid.
Uses of tert-Butyl peroxide: It is widely used as crosslinking agent of unsaturated polyester resins and silicone rubber, polymerization initiator of monomer, polypropylene modifiers, vulcanization agent. It also can react with 2-piperidino-acrylonitrile to get 2,3-bis-tert-butoxymethyl-2,3-di-piperidin-1-yl-succinonitrile. This reaction needs solvent benzene at temperature of 20 °C. The yield is 64%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and may cause fire, so people should keep it away from sources of ignition. If you want to contact this product, you must ear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O(OC(C)(C)C)C(C)(C)C
2. InChI:InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | > 4103ppm/4H (4103ppm) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. |
mouse | LD50 | oral | 4572mg/kg (4572mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982. | |
rat | LC50 | inhalation | > 4100ppm/4H (4100ppm) | ARCO Chemical Company Report. Vol. JUN1982, | |
rat | LD50 | intraperitoneal | 3210mg/kg (3210mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. |
rat | LD50 | oral | > 25gm/kg (25000mg/kg) | ARCO Chemical Company Report. Vol. JUN1982, |
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