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| CAS No.: | 110-05-4 |
|---|---|
| Name: | Di-tert-butyl peroxide |
| Article Data: | 64 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H18O2 |
| Molecular Weight: | 146.23 |
| Synonyms: | tert-Butyl peroxide;Bis(tert-butyl) peroxide;Perossido di butile terziario;Peroxyde de butyle tertiaire;Cadox;Peroximon DB;Cadox TBP;Trigonox B;Di-tert-butylperoxid;Peroxide, bis (1, 1-dimethylethyl);Di tert butyl peroxide;Di-tert-butyl peroxyde;2-methyl-2-tert-butylperoxy-propane;Di-tert-Butyl hydroperoxide;Peroxide,bis(1,1-dimethylethyl);DTBP;Ditert-butyl Peroxide;Di-(tert.butyl)-peroxide;tert-Butylperoxide;sell: Di-tert-butyl peroxide;Initiating agent A;Di-tertbutylperoxide;Initiator C DTBP; |
| EINECS: | 203-733-6 |
| Density: | 0.796 g/cm3 |
| Melting Point: | -30 °C |
| Boiling Point: | 111 °C at 760 mmHg |
| Flash Point: | 29.7 °C |
| Solubility: | immiscible with water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 O, F
|
| Risk Codes: | 7-11 |
| Safety: | 14-16-3/7-36/37/39-14A |
| Transport Information: | UN 3107 |
| PSA: | 18.46000 |
| LogP: | 2.53160 |
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| 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; |
- 75-91-2
tert.-butylhydroperoxide
- 32133-82-7
Martins sulfurane
A
- 110-05-4
di-tert-butyl peroxide
B
- 139-66-2
diphenyl sulfide
C
- 945-51-7
1,1'-sulfinylbisbenzene
D
- 127-63-9
diphenyl sulphone
E
- 718-64-9
1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol
F
- 115-11-7
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 |
- 75-91-2
tert.-butylhydroperoxide
- 98946-18-0
tert-Butyl 2,2,2-trichloroacetimidate
- 110-05-4
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% |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 17011-26-6
tert-butyl hydrogen sulfate
A
- 75-91-2
tert.-butylhydroperoxide
B
- 110-05-4
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. |
- 17011-26-6
tert-butyl hydrogen sulfate
- 110-05-4
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 |
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Standards and Recommendations
Specification
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.
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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%.
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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, |