Acetylacetaldehyde dimethyl acetal
Synonym(s):3-Ketobutyraldehyde dimethyl acetal;3-Oxobutyraldehyde dimethylacetal;4,4-Dimethoxy-2-butanone;Acetylacetaldehyde dimethylacetal
- CAS NO.：5436-21-5
- Empirical Formula: C6H12O3
- Molecular Weight: 132.16
- MDL number: MFCD00008789
- EINECS: 226-605-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Acetylacetaldehyde dimethyl acetal?
Chemical properties
Clear colorless to yellow liquid
The Uses of Acetylacetaldehyde dimethyl acetal
Acetaldehyde dimethyl acetal is used as a flavoring agent. It is also used in the preparation of (R)-4,4-dimethoxy-2-butanol, pyrazoles and pyrimidines. Further, it is used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.
The Uses of Acetylacetaldehyde dimethyl acetal
4,4-Dimethoxy-2-butanone (β-ketobutyracetal) may be used in the preparation of:
- (R)-4,4-dimethoxy-2-butanol
- pyrazoles and pyrimidines
- [7,16-dihydro- 6,15( 17)-dimetbyldibenzo[b,i]-[1,4,8,11]tetrilazacyclotetradecinato-N5,N9,N14,N18]nickel{II)
Definition
ChEBI: 4,4-Dimethoxy-2-butanone is a ketone.
Synthesis Reference(s)
The Journal of Organic Chemistry, 41, p. 3765, 1976 DOI: 10.1021/jo00885a028
Tetrahedron Letters, 28, p. 6657, 1987 DOI: 10.1016/S0040-4039(00)96938-7
General Description
4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.
Properties of Acetylacetaldehyde dimethyl acetal
| Melting point: | -82 °C |
| Boiling point: | 70-73 °C/20 mmHg (lit.) |
| Density | 0.996 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 3381 | 3-OXOBUTANAL DIMETHYL ACETAL |
| Flash point: | 121 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Chloroform, Ethyl Acetate |
| form | Liquid |
| color | Clear colorless to yellow |
| Odor | at 0.10 % in dipropylene glycol. ethereal musty nutty alcoholic bitter |
| Water Solubility | decomposes |
| JECFA Number | 593 |
| BRN | 1702372 |
| CAS DataBase Reference | 5436-21-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butanone, 4,4-dimethoxy-(5436-21-5) |
| EPA Substance Registry System | 2-Butanone, 4,4-dimethoxy- (5436-21-5) |
Safety information for Acetylacetaldehyde dimethyl acetal
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
Computed Descriptors for Acetylacetaldehyde dimethyl acetal
| InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
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