4,4-dimethoxybutan-2-one
4,4-Dimethoxy-2-butanone
CAS: 5436-21-5
Molecular Formula: C6H12O3
4,4-dimethoxybutan-2-one - Names and Identifiers
| Name | 4,4-Dimethoxy-2-butanone |
| Synonyms | AADMA 4,4-Dimethoxybutanon 4,4-Dimethoxy-2-butanone 4,4-dimethoxybutan-2-one ACETOACETALDEHYDE DIMETHYL ACETAL 3-OXOBUTYRALDEHYDE DIMETHYLACETAL ACETYLACETALDEHYDE DIMETHYL ACETAL Acetylacetaldehyde dimethyl acetal 3-KETOBUTYRALDEHYDE DIMETHYL ACETAL 3-KETOBUTYRALDEHYDE-1-DIMETHYLACETAL ACETOACETALDEHYDE-1,1-DIMETHYL ACETAL 3-KETOBUTYRIC ALDEHYDE 1-DIMETHYL ACETAL |
| CAS | 5436-21-5 |
| EINECS | 226-605-1 |
| InChI | InChI=1/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
4,4-dimethoxybutan-2-one - Physico-chemical Properties
| Molecular Formula | C6H12O3 |
| Molar Mass | 132.16 |
| Density | 0.996 g/mL at 25 °C (lit.) |
| Melting Point | -82 °C |
| Boling Point | 70-73 °C/20 mmHg (lit.) |
| Flash Point | 121°F |
| JECFA Number | 593 |
| Water Solubility | decomposes |
| Vapor Presure | 1.35mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| BRN | 1702372 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.414(lit.) |
| Physical and Chemical Properties | The boiling point of 70-73 ℃(2.67kPa),50 ℃(0.67kPa), relative density of 0.993, refractive index of 1.4150, flash point of 49 ℃. |
| Use | Pharmaceutical intermediates of Sulfamethazine |
4,4-dimethoxybutan-2-one - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | 10 - Flammable |
| Safety Description | 16 - Keep away from sources of ignition. |
| UN IDs | UN 1989 3/PG 3 |
| WGK Germany | 2 |
| RTECS | EL7592500 |
| TSCA | Yes |
| HS Code | 29145000 |
| Hazard Class | 3 |
| Packing Group | III |
4,4-dimethoxybutan-2-one - Reference Information
| FEMA | 3381 | 3-OXOBUTANAL DIMETHYL ACETAL |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 4, 4-dimethoxy-2-butanone is an important fine chemical product, also called acetoacetaldehyde dimethanol, which is colorless or yellowish liquid at room temperature, it can be used to synthesize 2-chloro-3-amino-4-methylpyridine, 3-hydroxyisovaleraldehyde dimethanol, 2-mercapto-4-methylpyrimidine and other pharmaceutical pesticide intermediates. |
| Preparation | In the laboratory, sodium metal is used as the raw material, methanol is used as the solvent, and a saturated methanol solution of sodium methoxide is first prepared, and then acetone and methyl formate are added dropwise to perform Claisen ester condensation to prepare sodium butanone enol, and finally 4, 4-dimethoxy-2-butanone is synthesized by acetalization with methanol under the action of strong acid, the total yield of the process reaches 73.19% and the purity is 98.7%. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): cold drinks, candy, gel products and pudding, candied fruit, 80; Baked products 160; Seasoning 500; Meat products, soup products, vegetable products, 2000. |
| use | intermediate of pharmaceutical sulfamethazine. Mainly used as medicine and pesticide intermediates |
| production method | is obtained by condensation and addition of acetone. |
Last Update：2024-04-09 20:15:17
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