2-METHYL-1,1,1-TRICHLORO-2-PROPANOL
Chlorobutanol
CAS: 1320-66-7;57-15-8
Molecular Formula: C4H7Cl3O
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Names and Identifiers
| Name | Chlorobutanol |
| Synonyms | CHLORETONE Chlorbutol Chloretone Chlorobutanol Acetone chloroform ACETONE CHLOROFORM Trichloro-tert-buty alcohol 2-Trichloromethyl-2-propanol 2-TRICHLOROMETHYL-2-PROPANOL 2-Trichhloromethyl-2-propanol 1-Methyl-1-(trichloromethyl)ethanol 2-Methyl-1,1,1-trichloro-2-propanol 1,1,1-Trichloro-2-methyl-2-propanol 2-METHYL-1,1,1-TRICHLORO-2-PROPANOL 1,1,1-TRICHLORO-2-METHYL-2-PROPANOL 1,1,1-trichloro-2-methylpropan-2-ol BETA,BETA,BETA-TRICHLORO-TERT-BUTYL ALCOHOL Acetone chloroform~Chloretone~Chlorobutanol~1-Methyl-1-(trichloromethyl)ethanol~1,1,1-Trichloro-2-methyl-2-propanol |
| CAS | 1320-66-7 57-15-8 |
| EINECS | 200-317-6 |
| InChI | InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 |
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Physico-chemical Properties
| Molecular Formula | C4H7Cl3O |
| Molar Mass | 177.46 |
| Density | 1.3170 (estimate) |
| Melting Point | ~78°C |
| Boling Point | 173 °C |
| Flash Point | >110°C |
| Water Solubility | 8g/L(20 ºC) |
| Solubility | Slightly soluble in water, very soluble in ethanol (96 per cent), soluble in glycerol (85 per cent). |
| Vapor Presure | 0.574mmHg at 25°C |
| Appearance | Colorless crystal |
| Color | Hydrated crystals |
| Odor | camphor odor |
| pKa | 12.87±0.29(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Generates toxic fumes on combustion. |
| Refractive Index | 1.491 |
| MDL | MFCD02179352 |
| Physical and Chemical Properties | Colorless crystals. There are two kinds of crystals containing half molecules, water type and anhydrous type. The semi-molecular crystal water type has a melting point of 78 ℃, slightly soluble in water (1:250), easily soluble in ethanol (1:1), glycerin (1:10), ether, chloroform and volatile oil. The anhydrous type has a melting point of 97 ℃, a boiling point of 167 ℃ and 135 ℃(32.7kPa). Soluble in hot water, 1g can be dissolved in 1ml ethanol or 10ml glycerol, soluble in ether, petroleum ether, acetone, chloroform, glacial acetic acid, oil. Heating is easy to sublimate and can volatilize with water vapor. It smells like camphor. |
| Use | Used as preservative and plasticizer |
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 3 |
| Toxicity | MLD orally in dogs, rabbits (mg/kg): 238, 213 (Impens) |
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Standard
Authoritative Data Verified Data
This product is 2-methyl -1,1, 1-trigas-2-propanol hemihydrate. The content of C4H7C130 shall not be less than 98.5% based on anhydrous.
Last Update：2024-01-02 23:10:35
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Trait
Authoritative Data Verified Data
- This product is white crystal; There is a special odor that is slightly like camphor; Easy to sublimate.
- This product is soluble in ethanol, three gas methane, ether or volatile oil, slightly soluble in water.
melting point
take this product, without drying, according to the determination (General 0612), the melting point of not less than 77*0.
Last Update：2022-01-01 11:20:12
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Differential diagnosis
Authoritative Data Verified Data
- take about 25 m g of this product, add 5 m l of water to dissolve, add sodium hydroxide test solution lm l. Slowly add iodine solution 3 m l, that is to produce a yellow precipitate, and there is a special odor of iodoform.
- The infrared absorption spectrum of this product should be consistent with that of the reference substance (General rule 0402).
Last Update：2022-01-01 11:20:13
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Exam
Authoritative Data Verified Data
acidity
take 5.0g of this product, add 10ml of ethanol, shake to dissolve, take 4 m l, add 15ml of ethanol and 0.1ml of bromothymol blue indicator, shake well, its color and control solution (take O.Olmol/1 sodium hydroxide solution 1.0ml, plus ethyl alcohol 18ml and bromothymol blue indicator 0.1m l, shake well) show the blue comparison, not deeper.
clarity of the solution
take this product 5. O g, add 10ml ethanol to dissolve, check according to law (General Rule 0 9 0 2 ) , the solution should be clear; If it is turbid, it should not be more concentrated compared with No. 2 Turbidity standard solution (General rule 0902).
chloride
take this product 0 .1 0G, add dilute ethanol 2 5 m l, shake to dissolve, add nitric acid 1 .0 M l and dilute ethanol to 50ml, plus silver nitrate test solution 1 .0 m l, shake, place in the dark for 5 minutes, with the control solution (take the standard gasification sodium solution 5. Oml + nitric acid 1 .0 M l and dilute ethanol to 50ml, plus silver nitrate test solution 1 .0 M l made) comparison, not more concentrated (0.05%).
moisture
take this product, according to the moisture determination method (General 0832), the moisture content should be 4. 5% ~ 5. 5%.
ignition residue
not more than 0.1% (General rule 0841).
Last Update：2022-01-01 11:20:13
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Content determination
Authoritative Data Verified Data
take this product about O. lg, precision weighing, adding 5 m l of ethanol to dissolve, adding 5 m l of 20% sodium hydroxide solution, heating and refluxing for 15 minutes, cooling, adding 20m of water and 5 m l of nitric acid, precision Plus silver nitrate titration solution (0. ltn o l/L) 30 m l, with dibutyl phthalate 5 m l, tamponade, strong shake, add ammonium ferric sulfate indicator solution 2 m l, with ammonium thiocyanate titration solution (0. lm o l/L) titration, and the results of the titration were corrected with a blank test. Each l of silver nitrate titration solution (0.1 M o l/L) corresponds to 5.915 mg of C4H7C130.
Last Update：2022-01-01 11:20:14
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Category
Authoritative Data Verified Data
pharmaceutical excipients, bacteriostats and plasticizers.
Last Update：2022-01-01 11:20:14
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Storage
Authoritative Data Verified Data
sealed storage.
Last Update：2022-01-01 11:20:14
2-METHYL-1,1,1-TRICHLORO-2-PROPANOL - Reference Information
| biological activity | trichlorotert-butanol is a preservative, sedative, hypnotic and weak local anesthetic, with antibacterial and bacteriostatic effects. |
| Chemical properties | Colorless crystals. There are two kinds of crystals containing half molecules, water type and anhydrous type. The semi-molecular crystal water type has a melting point of 78 ℃, slightly soluble in water (1:250), easily soluble in ethanol (1:1), glycerin (1:10), ether, chloroform and volatile oil. The anhydrous type has a melting point of 97 ℃, a boiling point of 167 ℃ and 135 ℃(32.7kPa). Soluble in hot water, 1g can be dissolved in 1ml ethanol or 10ml glycerol, soluble in ether, petroleum ether, acetone, chloroform, glacial acetic acid, oil. Heating is easy to sublimate and can volatilize with water vapor. It smells like camphor. |
| use | trichlorotert-butanol is mainly used as a pharmaceutical raw material and can be used to make antiseptic, antiemetic and local analgesic. Its 1% aqueous solution or 5%-10% ointment can be sterilized. It can also be used in organic synthesis. |
| production method | obtained by the reaction of acetone and chloroform: chloroform and acetone are added into the reaction pot according to the ingredient ratio of 1:0.5, cooled to 8 ℃, slowly added potassium hydroxide under stirring, and the temperature is controlled not to exceed 15 ℃. After adding, keep stirring at the same temperature for 2 hours, discharge and filter, and concentrate the filtrate until there are no distillate droplets. Stop heating, cool to 25 ℃, add ice water, stir, precipitate crystallization, centrifugal crystallization, centrifugal separation, filter cake washed with distilled water until there is no chloride ion. Dry at 60-65 ℃ for about 2h, sift and pack. The yield was 56% (calculated as chloroform). Raw material consumption quota: chloroform 1247kg/t, acetone 1688kg/t, potassium hydroxide 285kg/t. |
| category | flammable items |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rabbit LDL0: 213 mg/kg; Oral administration-dog LDL0:238 mg/kg |
| stimulation data | skin-rabbit 0.85 mg mild; Eye-rabbit 9.18 mg/30 s mild |
| flammability hazard characteristics | flammable when exposed to heat and fire; Chloride fumes released by heating decomposition |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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