CAS No.75-91-2,tert-Butyl hydroperoxide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75-91-2
Name:	tert-Butyl hydroperoxide
Article Data:	103

Formula:	C₄H₁₀O₂
Molecular Weight:	90.1222
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;
EINECS:	200-915-7
Density:	0.915 g/cm³
Melting Point:	-2.8 °C
Boiling Point:	120.44 °C at 760 mmHg
Flash Point:	35 °C
Solubility:	miscible with water
Appearance:	clear liquid
Hazard Symbols:	O, C
Risk Codes:	7-10-20/21/22-34-65-52/53-43-67-53
Safety:	14-3/7-61-45-36/37/39-24-17-16-14A-26-62
Transport Information:	UN 3109 5.2
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

Raw Materials

555-75-9

98-82-8

Downstream Products

105-58-8

83-33-0

546-24-7

542-92-7

Total:94 Page 1 of 3 1 2 3 Next>>

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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,