3-Oxobutanol
4-Hydroxy-2-butanone
CAS: 590-90-9
Molecular Formula: C4H8O2
3-Oxobutanol - Names and Identifiers
| Name | 4-Hydroxy-2-butanone |
| Synonyms | AI3-11747 NSC 41219 3-Oxobutanol 4-Butanol-2-one Methylolacetone 3-Oxo-1-butanol 3-Ketobutan-1-ol 4-hydroxy-2-butanon Monomethylolacetone 4-Hydroxybutan-2-one 4-Hydroxy-2-butanone 2-Butanone,4-hydroxy- 2-Butanone, 4-hydroxy- H**4-HYDROXY-2-BUTANONE |
| CAS | 590-90-9 |
| EINECS | 209-693-6 |
| InChI | InChI=1/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3 |
3-Oxobutanol - Physico-chemical Properties
| Molecular Formula | C4H8O2 |
| Molar Mass | 88.11 |
| Density | 1.023 g/mL at 25 °C (lit.) |
| Melting Point | 15°C (estimate) |
| Boling Point | 73-76 °C/12 mmHg (lit.) |
| Flash Point | 91°F |
| Water Solubility | Miscible with water, alcohol, ethanol and ether. |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 1.05mmHg at 25°C |
| Appearance | Transparent liquid |
| Color | Clear Colourless |
| BRN | 1737666 |
| pKa | 14.43±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Sensitive to air |
| Refractive Index | 1.430 |
| MDL | MFCD00059005 |
| Physical and Chemical Properties | colorless liquid with aromatic odor. Volatile components present in licorice and cigarette smoke |
| Use | Pharmaceutical Intermediates |
3-Oxobutanol - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S16 - Keep away from sources of ignition. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1993 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29144000 |
3-Oxobutanol - Introduction
Miscible with water, ethanol, ether, acetone. The product exists in the tobacco smoke.
Last Update：2022-10-16 17:26:44
3-Oxobutanol - Reference Information
| LogP | -1.209 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 4-hydroxy-2-butanone, a component used to trap bark beetle powder, ziegler-Natta catalyst and Ziegler- Natta catalyst form a complex for the Stereospecific Polymerization of butadiene as a catalyst and an organic synthesis intermediate, which is an intermediate for the synthesis of spice raspberry ketone and anethoxyacetone. |
| preparation | a synthesis method of 4-hydroxy-2-butanone, comprising the following steps:(1) add a certain amount of 1.3 butanediol, Catalyst, water and water-carrying agent to the reaction vessel, stir evenly to form a mixed solution, and raise the temperature to 60-75 °c;(2) continue stirring, to the mixed solution, hydrogen peroxide with a mass concentration of 25-35% is added dropwise, and the mixture is distilled and dehydrated while dropping;(3) when it is detected that the content of 1.3 butanediol in the reaction vessel is less than 5% of the initial content, the dropwise addition of hydrogen peroxide is stopped and stirring is continued for 0.5-1.5h;(4) the temperature in the reaction vessel is controlled, the water-carrying agent was distilled off;(5) the temperature in the reaction vessel was lowered to 60-65 ° C., and the target product 4-hydroxy-2-butanone was distilled. |
| Use | pharmaceutical intermediates. |
| production method | from the reaction of acetone and formaldehyde. The formaldehyde solution is mixed with acetone at 1:30 by weight and fed to a pipeline reactor at a temperature of 51-53 °c for a residence time of 3-4min. In the production of methyl ketene, which is an intermediate of vitamin A, the resulting 4-hydroxy-2-butanone reaction solution is directly used in the next step to obtain methyl ketene by dehydration with oxalic acid. |
Last Update：2024-04-10 22:29:15
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