- 4,4-Dimethoxy-2-butanone
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- $0.00 / 25Kg/Drum
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2026-04-14
- CAS:5436-21-5
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 100mt/year
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| | Acetylacetaldehyde dimethyl acetal Basic information |
| | Acetylacetaldehyde dimethyl acetal Chemical Properties |
| Melting point | -82 °C | | Boiling point | 70-73 °C/20 mmHg (lit.) | | density | 0.996 g/mL at 25 °C (lit.) | | FEMA | 3381 | 3-OXOBUTANAL DIMETHYL ACETAL | | refractive index | n20/D 1.414(lit.) | | Fp | 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 | | Odor Type | ethereal | | Water Solubility | decomposes | | JECFA Number | 593 | | BRN | 1702372 | | InChI | 1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 | | InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N | | SMILES | COC(CC(C)=O)OC | | LogP | 0.33 | | 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) |
| Hazard Codes | F | | Risk Statements | 10 | | Safety Statements | 16 | | RIDADR | UN 1989 3/PG 3 | | WGK Germany | 2 | | RTECS | EL7592500 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29145000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Acetylacetaldehyde dimethyl acetal Usage And Synthesis |
| Chemical Properties | Clear colorless to yellow liquid | | Uses | 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. | | Uses | 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. | | Synthesis | Methanol was added to the 3L and 2L flasks, 257 g of sodium methanolate (1.852 mol) was dissolved in methanol and the temperature was maintained at 40 °C. A mixture of 118.1 g of acetone (2.036 mol) and 333.6 g of methyl formate (5.555 mol) was added dropwise to the reaction system at 40 °C for 4 hours. After the dropwise addition, stirring was continued for 1 h. Subsequent cooling to 20 °C gave 184 g of formalin acetone sodium salt (92% quantitative yield by HPLC using sodium methanol as standard). The resulting formalin acetone sodium salt was transferred to a necked down 3L reactor, methanol was added, and 6.2 g of sulfuric acid (0.063 mol) was added, keeping the temperature at 30 °C. The reaction solution of formylacetone was added to the reaction system simultaneously with 93.8 g of sulfuric acid (0.957 mol) dropwise at 30 °C or lower for 1 hour, during which the pH was maintained between 0-1. After completion of the dropwise addition, the mixture was continued to be stirred at the same temperature for 4 hours and subsequently cooled to 20°C. The pH was adjusted to 7-8 with 20% sodium hydroxide solution, the resulting salt was removed by filtration, and the distillate was collected by distillation to give a final 195.6 g of 4,4-dimethoxy-2-butanone (80.0% yield based on sodium methanol and 87.0% yield based on formalin acetone sodium salt). | | Toxics Screening Level | The ITSL for 4,4-dimethoxy-2-butanone is 20 μg/m3 annual average. | | References | [1] Patent: KR2017/17372, 2017, A. Location in patent: Paragraph 0047; 0065-0070 |
| | Acetylacetaldehyde dimethyl acetal Preparation Products And Raw materials |
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