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| | 3-Hydroxy-3-methyl-2-butanone Basic information |
| Product Name: | 3-Hydroxy-3-methyl-2-butanone | | Synonyms: | 3-HYDROXY-3-METHYL-2-BUTANONE;ACETYLDIMETHYLCARBINOL;1-Hydroxy-1-methylethyl methyl ketone;2-Butanone, 3-hydroxy-3-methyl-;2-Hydroxy-2-methyl-3-butanone;2-Methyl-2-hydroxybutan-3-one;3-hydroxy-3-methyl-2-butanon;3-Hydroxy-3-methylbutanone | | CAS: | 115-22-0 | | MF: | C5H10O2 | | MW: | 102.13 | | EINECS: | 204-073-1 | | Product Categories: | C3 to C6;Carbonyl Compounds;Ketones | | Mol File: | 115-22-0.mol |  |
| | 3-Hydroxy-3-methyl-2-butanone Chemical Properties |
| Melting point | 84-85 °C | | Boiling point | 140-141 °C (lit.) | | density | 0.971 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.415(lit.) | | Fp | 108 °F | | storage temp. | Flammables area | | solubility | Soluble in chloroform. | | pka | 13.28±0.29(Predicted) | | form | Liquid | | color | Clear colorless to yellow or light red | | BRN | 1616385 | | InChI | 1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3 | | InChIKey | BNDRWEVUODOUDW-UHFFFAOYSA-N | | SMILES | CC(=O)C(C)(C)O | | LogP | 0.112 (est) | | CAS DataBase Reference | 115-22-0(CAS DataBase Reference) | | EPA Substance Registry System | 2-Butanone, 3-hydroxy-3-methyl- (115-22-0) |
| Risk Statements | 10 | | Safety Statements | 23-24/25-22 | | RIDADR | UN 1224 3/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29144000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | 3-Hydroxy-3-methyl-2-butanone Usage And Synthesis |
| Chemical Properties | CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | | Uses | 3-Hydroxy-3-methyl-2-butanone used to produce 2,5-dihydroxy-2-methyl-heptan-3-one, laboratory chemicals. | | Application | 3-Hydroxy-3-methyl-2-butanone is an alpha-hydroxy ketone compound. It can be used as a biologically active natural product and a pharmaceutical intermediate, and as a photoinitiator in UV-curable coatings. At the same time, α-hydroxyketone structural units are also widely used synthons in organic synthesis. Hydroxyl can be used as a mild reaction precursor for double bonds, ester groups, carbonyl groups, halogenated hydrocarbons and other groups. Carbonyl can be used as the reaction precursor of hydroxyl, amino, alkyl and other groups. Therefore, α-hydroxyketone compounds are a class of compounds with important application value. | | Preparation | synthesis of 3-Hydroxy-3-methyl-2-butanone: 19ml of concentrated sulfuric acid (98wt%) was slowly mixed with 100ml of water, then 13g of yellow mercury oxide was added within 1.5h, 84g (1.0mol) of 2-methyl-3-butyn-2-ol was added dropwise to the sulfuric acid solution containing mercury oxide at 65-75°C, Then the reaction was stirred at 65-75°C for 30min, cooled to room temperature after the reaction was completed, the reaction product was subjected to suction filtration, the filtrate after suction filtration was extracted with ether (3×20ml), and the organic phase after extraction was water and hydrogen carbonate respectively. Washed with sodium solution, the washed organic phase was dried with anhydrous magnesium sulfate, and then filtered, the filtered filtrate was concentrated by rotary evaporation and then distilled, and the 140°C fraction was collected, 45.6 g of light yellow liquid was obtained as 3-hydroxy-3-methyl-2-butanone, and the yield was 32.2%. | | Definition | ChEBI: 3-Hydroxy-3-methylbutan-2-one is a secondary alpha-hydroxy ketone. |
| | 3-Hydroxy-3-methyl-2-butanone Preparation Products And Raw materials |
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