tert-Butyl hydroperoxide
tert-Butyl hydroperoxide
CAS: 75-91-2
Molecular Formula: C4H10O2
tert-Butyl hydroperoxide - Names and Identifiers
| Name | tert-Butyl hydroperoxide |
| Synonyms | TBHP T hydro trigonox cadox tbh Perbutyl H Peroxybutanol trigonox a-75 Trigonox AW70 Slimicide DE-488 Butyl hydroperoxide T-Butyl hydroperoxide tert-Butyl hydroperoxide Dimethylethyl hydroperoxide tertiary-Butyl hydroperoxide 2-hydroperoxy-2-methylpropane Hydroperoxide, 1,1-dimethylethyl |
| CAS | 75-91-2 |
| EINECS | 200-915-7 |
| InChI | InChI=1/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3 |
tert-Butyl hydroperoxide - Physico-chemical Properties
| Molecular Formula | C4H10O2 |
| Molar Mass | 90.121 |
| Density | 0.937 |
| Melting Point | -3° |
| Boling Point | 96° dec. |
| Flash Point | 35°C |
| Water Solubility | Miscible with water and diethyl ether. |
| Vapor Presure | 7.38mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Refractive Index | 1.399 |
| Use | Used as drying agent, polymerization initiator, organic synthesis intermediate of unsaturated melamine resin coating |
tert-Butyl hydroperoxide - Risk and Safety
| Hazard Symbols | O - Oxidizing agent C - Corrosive  |
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R43 - May cause sensitization by skin contact R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R7 - May cause fire |
| Safety Description | S16 - Keep away from sources of ignition. S17 - Keep away from combustible material. S24 - Avoid contact with skin. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
tert-Butyl hydroperoxide - Nature
| melting point | -2.8 °C |
| boiling point | 37°C (15 mmHg) |
| density | 0.937 g/mL at 20 °C |
| Vapor pressure | 62 mmHg at 45 °C |
| refractive index | n20/D 1.403 |
| flash point | 85 °F |
| storage conditions | 2-8°C |
| morphology | Liquid |
| acidity coefficient (pKa) | pK1: 12.80 (25°C) |
| color | Clear colorless |
| water solubility | Miscible |
| Merck | 14,1570 |
| BRN | 1098280 |
| exposure limit | No exposure limit is set. On the basis of its irritant properties a ceiling limit of 1.2 mg/m3 (0.3 ppm) is recommended. |
| stability | Stable, but may explode if heated under confinement. Decomposition may be accelerated by traces of metals, molecular sieve or other contaminants. Incompatible with reducing agents, combustible material, acids. |
| InChIKey | CIHOLLKRGTVIJN-UHFFFAOYSA-N |
| NIST chemical information | Tert-butyl hydroperoxide(75-91-2) |
| EPA chemical information | tert-Butyl hydroperoxide (75-91-2) |
Last Update：2024-04-10 22:29:15
tert-Butyl hydroperoxide - Introduction
| tert-butyl hydrogen peroxide (Tert-butyl Hydroperoxide), referred to as TBHP, is one of the most commonly used alkyl hydroperoxide. Commodities are generally light yellow transparent non-volatile liquids, slightly soluble in water, miscible with organic solvents. Butyl hydrogen peroxide is mainly used as an initiator for free radical reactions or polymerization reactions in industry. Compared with the decomposition products of most other initiators, it is acidic. The decomposition products of TBHP are tert-butanol (TBA) and a small amount of acetone, which are not corrosive to the equipment, so the requirements for the equipment are not high. The decomposition activation energy of O-O bond in tert-butyl hydrogen peroxide is low, which can be used as an improver to improve the decane number of diesel oil. Tt-butyl hydrogen peroxide is a very important organic synthesis intermediate. It is a crosslinking agent used in unsaturated polyester crosslinking under medium and high temperature conditions. Under the action of the metal catalyst, TBHP can also be used as an oxygen supplier to selectively oxidize unsaturated hydrocarbons such as acetals, allyl alcohol compounds, and unsaturated hydrocarbons. |
Last Update：2024-04-10 22:29:15
tert-Butyl hydroperoxide - Security information
| category | oxidant |
| toxicity classification | Poisoning |
| acute toxicity | oral-rat LD50: 406 mg/kg; Oral-mouse LD50: 710 mg/kg |
| Stimulus data | skin-rabbit 500 mg/24 hours; Eyes-rabbit 100 mg/24 hours moderate |
| explosive hazard characteristics | It can be exploded when mixed with reducing agent, sulfur, phosphorus, etc.; it can be exploded when heated and reacted with metal salt; it can be exploded when distilled; it reacts fiercely with acid; |
| flammability hazard characteristics | In case of heat, open flame, the reducing agent is flammable; combustion produces stimulating smoke |
| storage and transportation characteristics | Warehouse ventilation and low temperature; light loading and light unloading; separate storage from organic matter, reducing agent, sulfur, and phosphorus combustibles |
| fire extinguishing agent | dry powder, carbon dioxide, foam |
| occupational standards | STEL 5 mg/m3 |
Last Update：2024-04-19 09:18:54
tert-Butyl hydroperoxide - Use
- used as a catalyst for polymerization reactions. Used as an introducer of peroxide groups in the substituent reaction. This product is a first-class organic oxidant, which is easy to explode at high temperatures.
- is used for dyeing and printing cotton, viscose, silk, cotton fiber and other fibers and their fabrics, and also for dyeing polyester/viscose blended fabrics. Can be used alone or for color matching. After dyeing viscose fabric, the product is treated with fixing agent M, and the color light is slightly wilted. After fixing agent Y treatment, the color light is slightly blue, and after urea-formaldehyde resin finishing, the color light is bluer.
- Used as desiccant, polymerization initiator, organic synthesis intermediate for unsaturated melamine resin coatings
Last Update：2024-04-10 22:29:15
tert-Butyl hydroperoxide - Preparation
- After diazotization of p-nitroaniline o-sulfonic acid, it is coupled with & gamma; acid, and then the nitro group in the coupling is reduced to amino group, then condensed with phosgene, and finally salted out, filtered and dried. Raw material consumption (kg/t) p-nitroaniline o-sulfonic acid 555 & gamma; Acid 490 phosgene 510
- tert-butanol reacts with sulfuric acid to form tert-butyl hydrogen sulfate, which is obtained by reacting with hydrogen peroxide. Add tert-butanol to the reaction pot, add hydrogen peroxide at 35 deg c under stirring, then raise the temperature to 50 deg c, add 70% sulfuric acid dropwise, react for 5h after adding, keep the temperature at 55-60 deg c, stand in layers, dry the upper oil layer with anhydrous sodium sulfate, filter to obtain tert-butyl hydrogen peroxide.
- tert-butanol reacts with sulfuric acid to generate tert-butyl bisulfate, which reacts with hydrogen peroxide to obtain:(CH3)3COH(H2SO4,H2O2)& rarr;(CH3)3COOH tert-butanol is added into the reaction pot, hydrogen peroxide is added at 35 ℃ under stirring, then the temperature is raised to 50 ℃, 70% sulfuric acid is added dropwise, the upper oil layer is dried and filtered with anhydrous sodium sulfate to obtain tert-butyl hydrogen peroxide.
Last Update：2024-04-19 09:19:17
tert-Butyl hydroperoxide - Nature
| colorless transparent or yellow liquid. Melting point -8 ℃, boiling point 35 ℃(2.66kPa),40 ℃(3.06kPa), relative density (20/4 ℃)0.896, refractive index 1.4007. It can be miscible with organic solvents such as ethanol and ether. The solubility in water is 12g, which is weakly acidic. It is stable below 75 ℃, loses oxygen at 90~100 ℃, and explodes at 250 ℃. |
Last Update：2024-04-10 22:29:15
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