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Acetylacetaldehyde dimethyl acetal

Product Name
Acetylacetaldehyde dimethyl acetal
CAS No.
5436-21-5
Chemical Name
Acetylacetaldehyde dimethyl acetal
Synonyms
4,4-DIMETHOXY-2-BUTANONE;KBA;AADMA;4,4-dimethoxybutanon;4,4-dimethoxybutanone;1,1-DIMETHOXY-3-BUTANONE;2-Butanone, 4,4-dimethoxy-;4,4-Dimethoxy-2-butanone (DMB);3-OXOBUTYRALDEHYDE DIMETHYLACETAL;FADMA
CBNumber
CB3708585
Molecular Formula
C6H12O3
Formula Weight
132.16
MOL File
5436-21-5.mol
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Acetylacetaldehyde dimethyl acetal Property

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
Odor Type
ethereal
Water Solubility 
decomposes
JECFA Number
593
BRN 
1702372
InChIKey
PJCCSZUMZMCWSX-UHFFFAOYSA-N
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
380067
Product name
4,4-Dimethoxy-2-butanone
Purity
technical grade, ≥90%
Packaging
100ml
Price
$94.1
Updated
2025/07/31
Sigma-Aldrich
Product number
380067
Product name
4,4-Dimethoxy-2-butanone
Purity
technical grade, ≥90%
Packaging
500ml
Price
$144
Updated
2025/07/31
TCI Chemical
Product number
D1157
Product name
1,1-Dimethoxy-3-butanone
Purity
>90.0%(GC)
Packaging
25mL
Price
$27
Updated
2025/07/31
TCI Chemical
Product number
D1157
Product name
1,1-Dimethoxy-3-butanone
Purity
>90.0%(GC)
Packaging
100mL
Price
$61
Updated
2025/07/31
TCI Chemical
Product number
D1157
Product name
1,1-Dimethoxy-3-butanone
Purity
>90.0%(GC)
Packaging
500mL
Price
$167
Updated
2025/07/31
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Acetylacetaldehyde dimethyl acetal Chemical Properties,Usage,Production

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

107-31-3

67-64-1

5436-21-5

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

Raw materials

Preparation Products

METHYL 3-METHYL-2-FUROATE 1-METHOXY-3-TRIMETHYLSILOXY-1,3-BUTADIENE 2-METHANESULFONYL-4-METHYL-PYRIMIDINE 5-METHYL-4-ISOXAZOLESULFONYL CHLORIDE Ethyl 5-methyl-1H-pyrrole-2-carboxylate 4-METHOXY-3-BUTEN-2-ONE 4-METHYL-PYRIMIDINE-2-SULFONYL FLUORIDE 3-Methyl-2-furoic acid 3-METHYL-1-PHENYLPYRAZOLE 4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE 2-FLUORO-6-METHYLNAPHTHALENE
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Acetylacetaldehyde dimethyl acetal Suppliers

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View Lastest Price from Acetylacetaldehyde dimethyl acetal manufacturers

Jinan Finer Chemical Co., Ltd
Product
4,4-Dimethoxy-2-butanone 5436-21-5
Price
US $0.00/Kg/Drum
Min. Order
1KG
Purity
99%
Supply Ability
100mt/year
Release date
2021-06-08
Hebei Chuanghai Biotechnology Co., Ltd
Product
Acetylacetaldehyde dimethyl acetal 5436-21-5
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-11-05
Dideu Industries Group Limited
Product
Acetylacetaldehyde dimethyl acetal 5436-21-5
Price
US $1.10/g
Min. Order
1g
Purity
99.9%
Supply Ability
100 Tons Min
Release date
2025-04-09

5436-21-5, Acetylacetaldehyde dimethyl acetalRelated Search:

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