ChemicalBook Product Catalog Chemical Reagents Organic reagents aliphatic ketones Acetylacetaldehyde dimethyl acetal

Acetylacetaldehyde dimethyl acetal

Acetylacetaldehyde dimethyl acetal Basic information
Product Name:Acetylacetaldehyde dimethyl acetal
Synonyms:AADMA;ACETYLACETALDEHYDE DIMETHYL ACETAL;ACETOACETALDEHYDE-1,1-DIMETHYL ACETAL;ACETOACETALDEHYDE DIMETHYL ACETAL;3-OXOBUTYRALDEHYDE DIMETHYLACETAL;3-KETOBUTYRALDEHYDE-1-DIMETHYLACETAL;3-KETOBUTYRALDEHYDE DIMETHYL ACETAL;3-KETOBUTYRIC ALDEHYDE 1-DIMETHYL ACETAL
CAS:5436-21-5
MF:C6H12O3
MW:132.16
EINECS:226-605-1
Product Categories:Pharmaceutical Intermediates;bc0001
Mol File:5436-21-5.mol
Acetylacetaldehyde dimethyl acetal Structure
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
Odorat 0.10 % in dipropylene glycol. ethereal musty nutty alcoholic bitter
Odor Typeethereal
Water Solubility decomposes
JECFA Number593
BRN 1702372
InChIKeyPJCCSZUMZMCWSX-UHFFFAOYSA-N
LogP0.33
CAS DataBase Reference5436-21-5(CAS DataBase Reference)
NIST Chemistry Reference2-Butanone, 4,4-dimethoxy-(5436-21-5)
EPA Substance Registry System2-Butanone, 4,4-dimethoxy- (5436-21-5)
Safety Information
Hazard Codes F
Risk Statements 10
Safety Statements 16
RIDADR UN 1989 3/PG 3
WGK Germany 2
RTECS EL7592500
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29145000
MSDS Information
ProviderLanguage
KBA English
ACROS English
SigmaAldrich English
ALFA English
Acetylacetaldehyde dimethyl acetal Usage And Synthesis
Chemical PropertiesClear colorless to yellow liquid
UsesAcetaldehyde 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.
Uses4,4-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)
DefinitionChEBI: 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 Description4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.
Diphenyldimethoxysilane RARECHEM AL BP 0223 Dimethoxy N,N-Dimethylformamide Dimethyldimethoxysilane 2-Butanone oxime 5-ALLYL-2,5-DICHLORO-4,4-DIMETHOXY-3-(4-METHYLPIPERAZIN-1-YL)CYCLOPENT-2-EN-1-ONE Acetylacetaldehyde dimethyl acetal acetomycin diepoxin sigma Dimethyl sulfide Dimethyl fumarate 1,1-Dimethoxyethane Dimethyl sulfoxide Trospectomycin Dimethyl ether Dimethyl carbonate Dimethyl sulfate
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