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: 2024-11-05 19:05:58

Acetylacetaldehyde dimethyl acetal Structural

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	n20/D 1.414(lit.)
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.