tert-Butanol EMPLURA.
tert-Butanol
CAS: 75-65-0
Molecular Formula: C4H10O
tert-Butanol EMPLURA. - Names and Identifiers
| Name | tert-Butanol |
| Synonyms | tert-Butanol Tert Butanol t-Butyl Alcohol tert-Butyl alcohol tert butyl alcohol 2-Methyl-2-propanol tert-Butanol EMPLURA. 2-Methyl n-propan-2-ol alcoolbutyliquetertiaire tert-Butanol, for analysis ACS tert-Butanol2-Methyl-2-propanol tert-BUTYL ALCOHOL REAGENT (ACS) t-Butyl Alcohol 〔2-Methyl-2-propanol〕 tert-Butanol for analysis EMSURE ACS,Reag. Ph Eur |
| CAS | 75-65-0 |
| EINECS | 200-889-7 |
| InChI | InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
| InChIKey | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
tert-Butanol EMPLURA. - Physico-chemical Properties
| Molecular Formula | C4H10O |
| Molar Mass | 74.12 |
| Density | 0.775 g/mL at 25 °C (lit.) |
| Melting Point | 23-26 °C (lit.) |
| Boling Point | 83 °C (lit.) |
| Flash Point | 95°F |
| JECFA Number | 85 |
| Water Solubility | soluble |
| Solubility | water: miscible |
| Vapor Presure | 31 mm Hg ( 20 °C) |
| Vapor Density | 2.55 (vs air) |
| Appearance | Liquid After Melting |
| Color | APHA: ≤20 |
| Odor | Characteristic; camphor-like; pungent. |
| Exposure Limit | TLV-TWA 300 mg/m3 (100 ppm) (ACGIH);IDLH 8000 ppm. |
| Maximum wavelength(λmax) | ['λ: 215 nm Amax: 1.00', , 'λ: 230 nm Amax: 0.50', , 'λ: 250 nm Amax: 0.20', , 'λ: 30 |
| Merck | 14,1542 |
| BRN | 906698 |
| pKa | 19(at 25℃) |
| Storage Condition | Store at +5°C to +30°C. |
| Stability | Stable. Very flammable. Incompatible with strong oxidizing agents, copper, copper alloys, alkali metals, aluminium. |
| Explosive Limit | 2.3-8.0%(V) |
| Refractive Index | n20/D 1.399(lit.) |
| Physical and Chemical Properties | Character camphor smell of colorless crystals, easy to cold, in the presence of a small amount of water is liquid. melting point 25.5 ℃ boiling point 82.5 ℃ relative density 0.7887 refractive index 1.3878 flash point 8.9 ℃ soluble in ethanol, ether, with water can form an azeotropic mixture. |
| Use | Used as organic solvents and chemical raw materials, but also the preparation of drugs, spices raw materials |
tert-Butanol EMPLURA. - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20 - Harmful by inhalation R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S7 - Keep container tightly closed. S46 - If swallowed, seek medical advice immediately and show this container or label. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1120 3/PG 3 |
| WGK Germany | 1 |
| RTECS | EO1925000 |
| TSCA | Yes |
| HS Code | 29051410 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 3.5 g/kg (Schaffarzick, Brown) |
tert-Butanol EMPLURA. - Upstream Downstream Industry
tert-Butanol EMPLURA. - Nature
Open Data Verified Data
tert-butyl alcohol is a colorless crystal, when there is a small amount of water, it is a colorless volatile liquid, it has the odor similar to camphor, it is hygroscopic, soluble in ethanol, ether, and can form an azeotropic mixture with water, soluble in most organic solvents, such as alcohols, esters, ketones, aromatic and aliphatic hydrocarbons. And water can form an azeotropic mixture, water content of 21. 76%, the azeotropic point of 79. 92 ℃, aqueous solution to add potassium carbonate can make the layer. Flammable, its vapor and air can form an explosive mixture, in the case of open flame, high heat energy caused by combustion explosion. A strong reaction with an oxidizing agent can occur.
Last Update：2024-01-02 23:10:35
tert-Butanol EMPLURA. - Preparation Method
Open Data Verified Data
From the Mixed C4 fraction after the extraction of butadiene, 60% ~ 70% of the sulfuric acid esterification, 99% of the isobutylene is absorbed to form tert-butyl sulfate, and then hydrolyzed to produce tert-butyl alcohol, after water vapor desorption, separate water, refined and purified to obtain the finished product. Alternatively, the C4 fraction is mixed with soft water in the presence of cation exchange resin to form tert-butanol, which is separated and concentrated to obtain tert-butanol.
Last Update：2022-01-01 09:25:08
tert-Butanol EMPLURA. - Use
Open Data Verified Data
solvent for determination of molecular weight and chromatographic analysis of reference substances. In addition, it often replaces n-butanol as a solvent for coatings and pharmaceuticals. Used as a fuel additive for internal combustion engines (to prevent icing of the carburetor) and as an antiknock agent. As the intermediate of organic synthesis and the alkylation raw material of tert-butyl compound, methyl methacrylate, tert-butylphenol and tert-butylamine can be produced for the synthesis of medicine and perfume. Isobutene with 99. 0% ~ 99.9% purity can be obtained by dehydration of tert-butyl alcohol.
Last Update：2022-01-01 09:25:08
tert-Butanol EMPLURA. - Safety
Open Data Verified Data
LD50:3500mg/kg (Rat oral). Compared with other alcohols, it has higher toxicity and anesthesia. Inhalation is harmful to the body. It has a stimulating effect on the eyes, skin, mucous membranes and respiratory tract. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Storage temperature should not exceed 30 ℃. Keep the container sealed. It should be stored separately from oxidants, acids, etc., and should not be mixed.
Last Update：2022-01-01 09:25:09
tert-Butanol EMPLURA. - Reference Information
| pH range of acid-base indicator discoloration | 7 |
| relative polarity | 0.389 |
| olfactory Threshold | 4.5ppm |
| Henry's Law Constant | 1.22 at 25 °C (static headspace-GC, Merk and Riederer, 1997) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | tert-butyl alcohol is an important intermediate of insecticide Buprofezin, hydrazine, Tebufenozide, acaricide, herbicide, sodium tert-butoxide, as an important sodium alkoxide in pesticide industry, is mainly used in the cyclization reaction of pyrethroids. used as organic solvents and chemical raw materials, but also the preparation of drugs, spices raw materials. It is also used as a solvent for molecular weight determination and a chromatographic analysis reagent. it often replaces n-butanol as a solvent for coatings and pharmaceuticals. Used as a fuel additive for internal combustion engines (to prevent icing of the carburetor) and as an antiknock agent. As the intermediate of organic synthesis and the alkylation raw material of tert-butyl compound, methyl methacrylate, tert-butylphenol and tert-butylamine can be produced for the synthesis of medicine and perfume. Isobutene with a purity of 99.0-99.9% can be obtained by dehydration of tert-butyl alcohol. |
| production method | 1. Sulfuric acid water method by isobutylene and sulfuric acid hydration: generally after the extraction of butadiene mixed C4 fraction as raw material, under the condition of 0.7MPa, 15 ℃, with 60-70% of the sulfuric acid esterification, 99% of the isobutylene is absorbed to produce tert-butyl sulfate ester, and then hydrolysis to produce tert-butyl alcohol, the water vapor desorption, separation of water, refined and purified to obtain the finished product. 2. Ion exchange resin hydration method mixing C4 fraction and soft water in the presence of cation exchange resin, hydration is produced to form tert-butyl alcohol, which is separated and concentrated to obtain 85% tert-butyl alcohol. Propylene, butane co-oxidation method 4. Direct hydration method with high concentration of Heteropoly acid aqueous solution as catalyst. Isobutene in the mixed C4 is selectively hydrated to tert-butanol. The preparation method can use isobutylene sulfuric acid water method, with isobutylene and 50% ~ 65% sulfuric acid esterification, then in 10~30 deg C water to get tert-butyl alcohol; it is also possible to carry out direct hydration of isobutene to give tert-butanol at 110 ° C. Under 25 atmospheres (1atm = 101325) using an acidic ion exchange resin as a catalyst. Sodium tert-butoxide is prepared by reacting tert-butyl alcohol with sodium metal. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3500 mg/kg; Intravenous-mouse LD50: 1538 mg/kg |
| stimulation data | Skin-rabbits were mild at 500 μl/24 h; eye-rabbit 100 μl/24 h severe |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke; spontaneous combustion in contact with potassium-sodium alloy |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, carbon dioxide, foam |
| Occupational Standard | TWA 300 mg/m3; Tel 375 mg/m3 |
| spontaneous combustion temperature | 896 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,600 ppm |
Last Update：2024-04-10 22:29:15
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Raw Materials for tert-Butanol EMPLURA.
Downstream Products for tert-Butanol EMPLURA.