3-hydroxy-3-methylpentan-2-one
3-Hydroxy-3-methyl-2-butanone
CAS: 115-22-0
Molecular Formula: C5H10O2
3-hydroxy-3-methylpentan-2-one - Names and Identifiers
| Name | 3-Hydroxy-3-methyl-2-butanone |
| Synonyms | ACETYLDIMETHYLCARBINOL 3-hydroxy-3-ethylbutanone 3-Hydroxy-3-methylbutanone 3-hydroxy-3-methyl-2-butanon 3-HYDROXY-3-METHYL-2-BUTANONE 2-Methyl-2-hydroxybutan-3-one 3-Hydroxy-3-methyl-2-butanone 1-hydroxy-3-methylbutan-2-one 2-Hydroxy-2-methyl-3-butanone 3-hydroxy-3-methylbutan-2-one 3-hydroxy-3-methylpentan-2-one 2-Butanone, 3-hydroxy-3-methyl- 1-Hydroxy-1-methylethyl methyl ketone |
| CAS | 115-22-0 |
| EINECS | 204-073-1 |
| InChI | InChI=1/C6H12O2/c1-4-6(3,8)5(2)7/h8H,4H2,1-3H3 |
| InChIKey | BNDRWEVUODOUDW-UHFFFAOYSA-N |
3-hydroxy-3-methylpentan-2-one - Physico-chemical Properties
| Molecular Formula | C5H10O2 |
| Molar Mass | 102.13 |
| Density | 0.971 g/mL at 25 °C (lit.) |
| Melting Point | 84-85 °C |
| Boling Point | 140-141 °C (lit.) |
| Flash Point | 108°F |
| Solubility | Soluble in chloroform. |
| Vapor Presure | 1.03mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow or light red |
| BRN | 1616385 |
| pKa | 13.28±0.29(Predicted) |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.415(lit.) |
3-hydroxy-3-methylpentan-2-one - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S22 - Do not breathe dust. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29144000 |
| Hazard Class | 3 |
| Packing Group | III |
3-hydroxy-3-methylpentan-2-one - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 3-hydroxy-3-methyl-2-butanone is an α-hydroxyketone compound. Α-hydroxy ketone compounds are very important and widely used compounds. It can be used as bioactive natural products and pharmaceutical intermediates, and can also be used as photoinitiator in UV curable coatings. At the same time, the α-hydroxy ketone structural unit is also a widely used synthon in organic synthesis. The hydroxyl group may serve as a mild reaction precursor for groups such as double bonds, ester groups, carbonyl groups, and halogenated hydrocarbons. The carbonyl group may serve as a reaction precursor for a hydroxyl group, an amino group, an alkyl group, and the like. In addition, α-hydroxy ketone compounds can also be derivatized as heterocyclic compounds. Therefore, α-hydroxy ketone compounds are a class of compounds with important application value. The synthesis of α-hydroxy ketone structural units is of great significance. |
| preparation | 19ML of concentrated sulfuric acid (98wt%) was slowly mixed with ml of water, 13g of yellow mercury oxide is then added over a period of 1.5H and 84G (1.0mol) of 2-methyl-3-butyne-2-ol is added dropwise to a solution of oxidized mercury in sulfuric acid at 65-75 °c, then the reaction was stirred at 65-75 °c for 30min. After the reaction was completed, the reaction was cooled to room temperature, and the reaction mixture was suction filtered. The filtrate after Suction filtration was extracted with ether (3 × 20ml), the extracted organic phase was washed with water and sodium bicarbonate solution, and the washed organic phase was dried over anhydrous magnesium sulfate, and then filtered. The filtered filtrate was concentrated by rotary evaporation and then distilled, the 140 °c fractions were collected to give 45.6G of a pale yellow liquid, 3-hydroxy-3-methyl-2-butanone, at a yield of 32.2%. |
Last Update：2024-04-10 22:29:15
