tert-butyl hydroperoxide supplier

Name
tert-Butyl hydroperoxide
EINECS 200-915-7
CAS No. 75-91-2
Article Data103
CAS DataBase
Density 0.915 g/cm³
Solubility miscible with water
Melting Point -2.8 °C
Formula C₄H₁₀O₂
Boiling Point 120.44 °C at 760 mmHg
Molecular Weight 90.1222
Flash Point 35 °C
Transport Information UN 3109 5.2
Appearance clear liquid
Safety 14-3/7-61-45-36/37/39-24-17-16-14A-26-62
Risk Codes 7-10-20/21/22-34-65-52/53-43-67-53
Molecular Structure
Hazard Symbols O, C
Synonyms DE 488;terc. Butylhydroperoxid [Czech];Slimicide;TBHP;Tert butyl Hydroperoxide;Trigonox A-W 70;Perbutyl H 69;Slimicide DE-488;Perbutyl H;Perbutyl H 69T;tert-Butyl hydroperoxide (8CI);Hydroperoxyde de butyle tertiaire [French];TBHP-70;4-01-00-01616 (Beilstein Handbook Reference);2-hydroperoxy-2-methyl-propane;Hydroperoxide, tert-butyl;Kayabutyl H;Trigonox A-75 [Czech];Perbutyl H 80;Cadox TBH;Trigonox A-W70;tert-Butyl-hydroperoxide solution;1,1-Dimethylethylhydroperoxide;Trigonox a-75;1,1-Dimethylethyl hydroperoxide;Tertiary butyl hydroperoxide;Hydroperoxide,1,1-dimethylethyl;Terc. butylhydroperoxid;terc.Butylhydroperoxid [Czech];Hydroperoxide, 1,1-dimethylethyl (9CI);t-Butylhydroperoxide;Ter-Butyl Hydroperoxide;Initiator A TBHP;
PSA 29.46000
LogP 1.27450

Synthetic route

1-tert-butylperoxy-5-methyl-3,3-bistrifluoromethyl-1H-1,2-benziodoxole: 1-tert-butylperoxy-5-methyl-3,3-bistrifluoromethyl-1H-1,2-benziodoxole

A: 65653-64-7
1,1,1,3,3,3-hexafluoro-2-(2-iodo-5-methylphenyl)-propan-2-ol

B: 75-91-2
tert.-butylhydroperoxide

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl In cyclohexane at 81℃; for 30h; Decomposition;	A 100% B 30%

: 123525-58-6
9-tert-butyl-10-methyl-9,10-dihydroacridine

A: 75-91-2
tert.-butylhydroperoxide

B: 10-methylacridanium

C: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With 9,10-Dicyanoanthracene; oxygen; trifluoroacetic acid; scandium tris(trifluoromethanesulfonate) In [D3]acetonitrile at 24.85℃; for 1h; Irradiation;	A n/a B 100% C n/a

...Expand

: 75-64-9
tert-butylamine

: 75-91-2
tert.-butylhydroperoxide

Conditions

Conditions	Yield
Stage #1: tert-butylamine With sodium hydrogen sulfate; 1,2-dibutoxyethane; lead(IV) tetraacetate; oxalic acid at 26℃; for 2.33333h; Stage #2: With cobalt(II) nitrate at 45℃; for 4h; Temperature;	98.8%

: 75-65-0
tert-butyl alcohol

: 75-91-2
tert.-butylhydroperoxide

Conditions

Conditions	Yield
With dihydrogen peroxide; trifluoroacetic acid In water at 5 - 90℃; for 0.0583333h; Reagent/catalyst; Temperature; Flow reactor;	94.3%
With sulfuric acid; dihydrogen peroxide at 0 - 20℃; for 12h;	59%
With ferrocenedicarboxylate; water; oxygen; dinitrogen monoxide at 20℃; Rate constant; Irradiation; pH 8; pulse radiolysis; var. ferrocenes;

: 110-82-7
cyclohexane

: 187939-68-0
1-tert-butylperoxy-5-methyl-3,3-bistrifluoromethyl-1H-1,2-benziodoxole

A: 65653-64-7
1,1,1,3,3,3-hexafluoro-2-(2-iodo-5-methylphenyl)-propan-2-ol

B: 75-91-2
tert.-butylhydroperoxide

C: 626-62-0
1-iodocyclohexane

D: 1,1,1,3,3,3-hexafluoro-2-m-tolylpropan-2-ol

Conditions

Conditions	Yield
at 81℃; for 30h; Decomposition; Further byproducts given;	A 3% B 1% C 94% D 94%

...Expand

: 67-56-1
methanol

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 75-91-2
tert.-butylhydroperoxide

B: 356-24-1
methyl heptafluorobutyrate

C: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
at 40℃; for 3h; Yield given. Yields of byproduct given;
In methanol at 10 - 40℃; for 3h; Rate constant; Kinetics; Thermodynamic data; ΔH(act.), ΔS(act.), various temperature;

...Expand

: 98-82-8
Isopropylbenzene

: 4262-61-7
acetone di-tert-butylperoxyketal

A: 75-91-2
tert.-butylhydroperoxide

B: 107-71-1
tert-butyl peroxyacetate

C: 1889-67-4
dicumene

D: 3457-61-2
tert-butyl cumyl peroxide

E: 67-64-1
acetone

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 120℃; for 2h; Product distribution; Kinetics; Mechanism; rate constants, ΔH(excit.), ΔS(excit.);	A 16 % Chromat. B 14 % Chromat. C 33 % Chromat. D 52 % Chromat. E 88 % Chromat. F 110 % Chromat.
at 110℃; for 4h; Mechanism;

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 555-75-9
aluminum ethoxide

A: 75-91-2
tert.-butylhydroperoxide

B: 64-17-5
ethanol

C: 64-19-7
acetic acid

Conditions

Conditions	Yield
With sulfuric acid Product distribution; Mechanism; multistep reaction;

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 555-31-7
aluminum isopropoxide

A: 75-91-2
tert.-butylhydroperoxide

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; Mechanism; multistep reaction;

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

: 4073-85-2
aluminium propanolate

A: 71-23-8
propan-1-ol

B: 75-91-2
tert.-butylhydroperoxide

C: 802294-64-0
propionic acid

Conditions

Conditions	Yield
With sulfuric acid Product distribution; Mechanism; multistep reaction;

...Expand

: 614-45-9
tert-Butyl peroxybenzoate

A: 75-91-2
tert.-butylhydroperoxide

B: 532-32-1
sodium benzoate

Conditions

Conditions	Yield
With sodium hydroxide; cetyltrimethylammonium chloride at 25℃; Rate constant; basic hydrolysis with different cationic micelles with or without NaOH;

: 563-79-1
2,3-Dimethyl-2-butene

: 15464-01-4
azo-t-butane

A: 5076-20-0
2,3-dimethyl-2,3-epoxybutane

B: 75-91-2
tert.-butylhydroperoxide

C: 50-00-0
formaldehyd

D: 67-64-1
acetone

E: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With oxygen In gas at 69.9℃; under 200 Torr; for 1.33333h; Product distribution; Irradiation; different time, temperature and oxygen pressure;

...Expand

: 3965-63-7
tert-butylperoxytrimethylsilane

A: 75-91-2
tert.-butylhydroperoxide

B: 507-20-0
tertiary butyl chloride

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

D: 107-46-0
Hexamethyldisiloxane

E: 115-11-7
isobutene

F: 75-65-0
tert-butyl alcohol

Conditions

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)

...Expand

: 107-71-1
tert-butyl peroxyacetate

: 555-75-9
aluminum ethoxide

A: 75-91-2
tert.-butylhydroperoxide

B: 64-17-5
ethanol

C: 64-19-7
acetic acid

Conditions

Conditions	Yield
With sulfuric acid Product distribution; multistep reaction;

...Expand

: 107-71-1
tert-butyl peroxyacetate

: 555-31-7
aluminum isopropoxide

A: 75-91-2
tert.-butylhydroperoxide

B: 64-19-7
acetic acid

C: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With sulfuric acid Product distribution; Mechanism; multistep reaction;

...Expand

: 107-71-1
tert-butyl peroxyacetate

: 4073-85-2
aluminium propanolate

A: 71-23-8
propan-1-ol

B: 75-91-2
tert.-butylhydroperoxide

C: 802294-64-0
propionic acid

Conditions

Conditions	Yield
With sulfuric acid Product distribution; Mechanism; multistep reaction;

...Expand

: 4262-61-7
acetone di-tert-butylperoxyketal

A: 75-91-2
tert.-butylhydroperoxide

B: 67-64-1
acetone

Conditions

Conditions	Yield
With sulfuric acid; water In 1,4-dioxane at 25℃; Kinetics; Mechanism; other aliphatic ketone di-tert-butylperoxyketals, induction and steric parameters of substituents at the carbonyl group of the ketones;
With sulfuric acid; water In 1,4-dioxane at 25℃; Equilibrium constant;

: 75-91-2
tert.-butylhydroperoxide

: 110-83-8
cyclohexene

: 51437-25-3
1-(tert-butylperoxy)-2-cyclohexene

Conditions

Conditions	Yield
In decane; toluene at 30℃;	100%
With [Cu(4-methyl-1,3-bis(2-pyridylimino)isoindole)(OAc)] In water	86%
With pyrazolate-based cobalt(II)-containing MFU-1 metal-organic framework at 70℃; for 2h;	11.9%

: 75-91-2
tert.-butylhydroperoxide

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 13154-57-9
2,6-di-tert-butyl-4-(tert-butylperoxy)-4-methylcyclohexa-2,5-dien-1-one

Conditions

Conditions	Yield
With dirhodium(II) tetrakis(caprolactam) In water; 1,2-dichloro-ethane at 40℃; for 0.75h; chemoselective reaction;	99%
With tetra-(n-butyl)ammonium iodide In nonane; 1,2-dichloro-ethane at 20℃; for 24h;	99%
With cobalt naphthenate
(electrochemical oxidation);
With sodium chloride; sodium hydroxide; benzyl alcohol In water at 70℃; for 12h; Sealed tube; Green chemistry;

: 75-91-2
tert.-butylhydroperoxide

: 103-71-9
phenyl isocyanate

: 20666-88-0
phenyl-peroxycarbamic acid tert-butyl ester

Conditions

Conditions	Yield
With copper acetylacetonate In tetrachloromethane at 20℃; for 1h; Product distribution; Mechanism;	99%
With copper acetylacetonate In benzene at 30℃; for 0.25h;	29%
With copper acetylacetonate In tetrachloromethane at 20℃; for 1h; Product distribution; Mechanism; other solvent (benzene), other temperature (30 deg C);	6%
With triethylamine In Petroleum ether

: 75-91-2
tert.-butylhydroperoxide

: 95091-86-4
3,5-di-tert-butyl-2-hydroxybenzonitrile

: 2,4-di-tert-butyl-4-tert-butylperoxy-6-cyano-2,5-cyclohexadienone

Conditions

Conditions	Yield
With salcomine In dichloromethane for 0.333333h; Ambient temperature;	99%

: 75-91-2
tert.-butylhydroperoxide

: 111-66-0
oct-1-ene

: 2984-50-1
1,2-Epoxyoctane

Conditions

Conditions	Yield
[Ti(NMe2){c-C6H11)7Si7O12}] at 79.85℃; Kinetics; Further Variations:; Catalysts; Epoxidation;	99%

: 75-91-2
tert.-butylhydroperoxide

: 3705-42-8
Cbz-(L)-Glu-OBn

: 2-benzyloxycarbonylamino-4-tert-butylperoxycarbonyl-butyric acid benzyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In decane; acetonitrile at -20 - 20℃; for 4h;	99%

: 75-91-2
tert.-butylhydroperoxide

: {(C6H4CH2N(CH3)2)(C6H4(O)CH2N(CH3)2)Pd}

: 63232-39-3
{(C6H4(O)(CH2N(CH3)2))2Pd}

Conditions

Conditions	Yield
bis(acetylacetonate)oxovanadium In chloroform-d1 react. with 2.0 equiv. Me3COOH and 2mol% VO(acac)2 at 20°C;	99%
In chloroform-d1; dichloromethane addn. of CH2Cl2 and the peroxide to the Pd-complex in CDCl3, react. for 5 d;	60%
bis(acetylacetonate)oxidovanadium(IV) In chloroform-d1; dichloromethane addn. of CH2Cl2 and the peroxide to the Pd-complex and catalyst in CDCl3, react. for 1.5 h;	>99

: 75-91-2
tert.-butylhydroperoxide

: 65706-99-2
1-benzyl N-carbobenzoxy-L-glutamate

: 592532-30-4
(2R)-benzyl 2-(benzyloxycarbonylamino)-5-(tert-butylperoxy)-5-oxopentanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In decane; dichloromethane; acetonitrile at -20 - 20℃; for 4h;	99%

: 75-91-2
tert.-butylhydroperoxide

: 1258621-51-0
N-(4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,5-triazin-2-yl)-N-(prop-2-ynyl)-methanesulfonamide

: 1258621-53-2
N-(4-(tert-butylperoxy)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,3,5-triazin-2-yl)-N-(prop-2-ynyl)methanesulfonamide

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 0 - 50℃; Inert atmosphere;	99%

: 292638-84-7
styrene

: 75-91-2
tert.-butylhydroperoxide

: 630-19-3
pivalaldehyde

: 1312775-15-7
(1-(tert-butylperoxy)-3,3-dimethylbutyl)benzene

Conditions

Conditions	Yield
With iron(II) chloride In decane; acetonitrile at 85℃; for 1h; Inert atmosphere;	99%
With iron(II) chloride In decane; ethyl acetate at 80℃; for 12h; Inert atmosphere; Sealed tube; Green chemistry;	79%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 2403-54-5
2-(4-chlorophenyl)-1,3-dioxolane

: 1449315-81-4
2-(tert-butylperoxy)-2-(4-chlorophenyl)-1,3-dioxolane

Conditions

Conditions	Yield
With iron(III)-acetylacetonate In decane; acetonitrile at 20 - 80℃; for 3h; Molecular sieve; Inert atmosphere;	99%

: 75-91-2
tert.-butylhydroperoxide

: 143741-85-9
tert-butyl (2-methoxyphenyl)methyl ether

: 1449315-76-7
tert-butyl (tert-butylperoxy)(2-methoxyphenyl)methyl ether

Conditions

Conditions	Yield
With iron(III)-acetylacetonate In decane; acetonitrile at 20 - 80℃; for 3h; Molecular sieve; Inert atmosphere;	99%

: 75-91-2
tert.-butylhydroperoxide

: 2495-37-6
benzyl methacrylate

: 630-19-3
pivalaldehyde

: 1415690-07-1
C19H30O4

Conditions

Conditions	Yield
With iron(II) chloride In decane; acetonitrile at 85℃; for 1h; Inert atmosphere;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 100-09-4
4-methoxybenzoic acid

: 121-98-2
methyl 4-methoxybenzoate

Conditions

Conditions	Yield
With copper quinolate In water; dimethyl sulfoxide at 120℃; for 24h; Solvent;	99%
With copper doped mesoporous polymelamine-formaldehyde In water; dimethyl sulfoxide at 100℃; for 16h; Catalytic behavior;	97%

: 75-91-2
tert.-butylhydroperoxide

: 100-52-7
benzaldehyde

: 93-58-3
benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: tert.-butylhydroperoxide; benzaldehyde In water; dimethyl sulfoxide Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube;	99%
With copper (II)-fluoride In water; dimethyl sulfoxide at 120℃; for 12h; Schlenk technique; Inert atmosphere; Green chemistry;	65%

: 75-91-2
tert.-butylhydroperoxide

: 83-34-1
3-Methylindole

: 590-86-3
isovaleraldehyde

: 1-(1-(tert-butylperoxy)-3-methylbutyl)-3-methyl-indole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 0.5h; chemoselective reaction;	99%
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 0.5h;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 55747-66-5
2-(2-(5-methoxy-1H-indol-3-yl)ethyl)isoindoline-1,3-dione

: 590-86-3
isovaleraldehyde

: C28H34N2O5

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 0.5h; chemoselective reaction;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}

: 699-12-7
2-(phenylthio)ethanol

: Rh2(α,α,α′,α′-tetramethyl-1,3-benzenedipropanoate)2-bis-2-(phenylsulfinyl)ethanol

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 9h;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 5395-43-7
tri(p-tolyl)antimony

: 118-79-6
2,4,6-tribromophenol

: 71-43-2
benzene

: μ2-oxobis[(2,4,6-tribromophenoxo)tris(para-tolyl)antimony] benzene monosolvate

Conditions

Conditions	Yield
Stage #1: tert.-butylhydroperoxide; tri(p-tolyl)antimony; 2,4,6-tribromophenol In diethyl ether at 20℃; for 24h; Stage #2: benzene In n-heptane	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: tris(3-fluorophenyl)antimony

: 602-94-8
Pentafluorobenzoic acid

: μ2-oxobis[pentafluorobenzoatetri(3-fluorophenyl)-antimony]

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 422-64-0
pentafluoropropionic acid

: 5395-43-7
tri(p-tolyl)antimony

: μ2-oxobis[tri(4-methylphenyl)pentafluoropropanoateantimony]

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h;	99%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: 89-98-5
2-chloro-benzaldehyde

: 610-96-8
methyl chlorobenzoate

Conditions

Conditions	Yield
Stage #1: tert.-butylhydroperoxide; 2-chloro-benzaldehyde In water; dimethyl sulfoxide Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube;	99%

: 75-91-2
tert.-butylhydroperoxide

: 32890-94-1
2-fluoro-6-(trifluoromethyl)benzoic acid

: 153556-50-4
methyl 2-fluoro-6-(trifluoromethyl)benzoate

Conditions

Conditions	Yield
Stage #1: tert.-butylhydroperoxide; 2-fluoro-6-(trifluoromethyl)benzoic acid In water; dimethyl sulfoxide Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube;	99%

: 75-91-2
tert.-butylhydroperoxide

: 760-67-8
2-ethylhexanoic acid chloride

: 3006-82-4
tertiary butyl per-2-ethylhexanoate

Conditions

Conditions	Yield
With potassium hydroxide In water at 27 - 35℃;	98.5%
With potassium hydroxide In water at 27 - 35℃; Product distribution / selectivity; Industry scale;	98.5%
In water at 40 - 45℃; Product distribution / selectivity;	90%
With 1-methyl-1H-imidazole at 25 - 35℃; Product distribution / selectivity;	88%

: 75-91-2
tert.-butylhydroperoxide

: 36727-29-4
isononanoyl chloride

: tert-butyl peroxy-3,5,5-trimethylhexanoate

Conditions

Conditions	Yield
With potassium hydroxide In water at 25℃;	98.2%
With potassium hydroxide In water at 25℃; Product distribution / selectivity; Industry scale;	98.2%

: 75-91-2
tert.-butylhydroperoxide

: 609-67-6
2-Iodobenzoyl chloride

: 10568-20-4
tert-butyl 2-iodobenzoperoxoate

Conditions

Conditions	Yield
With pyridine; dichloromethane In dichloromethane at -20℃; for 4.5h; Inert atmosphere;	98%
With pyridine In dichloromethane at -20 - 20℃; Oxidation;	90%

: 75-91-2
tert.-butylhydroperoxide

: 122-04-3
4-nitro-benzoyl chloride

: 16166-61-3
tert-butyl 4-nitrobenzoperoxoate

Conditions

Conditions	Yield
With pyridine In dichloromethane at -20 - 20℃; Oxidation;	98%
Stage #1: 4-nitro-benzoyl chloride With pyridine In dichloromethane at -20℃; for 0.166667h; Stage #2: tert.-butylhydroperoxide In dichloromethane at -20℃; for 4h; Further stages.;	98%
With pyridine In dichloromethane at -20℃; for 4h; Inert atmosphere;	98%

tert-butyl hydroperoxide Specification

The tert-butyl hydroperoxide with cas registry number of 75-91-2 is watery odorless colorless liquid. It is incompatible with reducing agents, combustible material, acids. It belongs to several categories which include Organics; Organic Peroxide; Synthetic Organic Chemistry. This chemical also has an EINECS registry number which is 200-915-7. As a chemical, it has a systematic name which is called tert-butyl hydroperoxide. And its IUPAC name is called 2-hydroperoxy-2-methylpropane. In addition, it has some superlist names which include Hydroperoxide, 1,1-dimethylethyl-; tert-Butyl hydroperoxide; tert-Butyl hydroperoxide, >90% with water; tert-Butyl hydroperoxide, >90% with water [Forbidden]. It is usually used in a variety of oxidation processes in industry. It can be used as a starter of radical polymerization.

The physical properties about this chemical are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.64; (6)ACD/BCF (pH 7.4): 6.64; (7)ACD/KOC (pH 5.5): 134.93; (8)ACD/KOC (pH 7.4): 134.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.399; (13)Molar Refractivity: 23.82 cm³; (14)Molar Volume: 98.4 cm³; (15)Surface Tension: 26.1 dyne/cm; (16)Density: 0.915 g/cm³; (17)Flash Point: 35 °C; (18)Enthalpy of Vaporization: 41.79 kJ/mol; (19)Boiling Point: 120.4 °C at 760 mmHg; (20)Vapour Pressure: 7.38 mmHg at 25°C; (21)Refractive index: 1.386-1.388; (22)Water Solubility: Miscible.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable which may cause fire. It should be kept away from sources of ignition and combustible material in a cool place with container tightly closed. In addition, this chemical is irritating to eyes, respiratory system and skin. And it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(O)C(C)(C)C;
(2)InChI: InChI=1/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3;
(3)InChIKey: CIHOLLKRGTVIJN-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	350ppm/4H (350ppm)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
mouse	LD50	intraperitoneal	246mg/kg (246mg/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.
mouse	LD50	oral	320mg/kg (320mg/kg)	BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION BLOOD: HEMORRHAGE	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 90, 1979.
rabbit	LD50	skin	460uL/kg (0.46mL/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION LIVER: OTHER CHANGES	ARCO Chemical Company Report. Vol. JUN1982,
rat	LC50	inhalation	500ppm/4H (500ppm)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat	LD50	intraperitoneal	87mg/kg (87mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat	LD50	oral	370mg/kg (370mg/kg)	BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION BLOOD: HEMORRHAGE	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 90, 1979.
rat	LD50	skin	790mg/kg (790mg/kg)		SPI Bulletin. Vol. 1/75-19B,

Product Name

tert-Butyl hydroperoxide

Synthetic route

tert-butyl hydroperoxide Specification

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