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Acetylacetaldehyde dimethyl acetal

CAS No.
5436-21-5
Chemical Name:
Acetylacetaldehyde dimethyl acetal
Synonyms
4,4-DIMETHOXY-2-BUTANONE;KBA;AADMA;4,4-dimethoxybutanone;4,4-dimethoxybutanon;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
Molecular Weight:
132.16
MDL Number:
MFCD00008789
MOL File:
5436-21-5.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 04:45:37
Product description Number Pack Size Price
4,4-Dimethoxy-2-butanone technical grade, ≥90% 380067 100ml $100
4,4-Dimethoxy-2-butanone technical grade, ≥90% 380067 500ml $153
1,1-Dimethoxy-3-butanone >90.0%(GC) D1157 25mL $27
1,1-Dimethoxy-3-butanone >90.0%(GC) D1157 100mL $61
4,4-Dimethoxy-2-butanone ≥92% (GC) ≥92%(GC) 233570 25g $156
More product size

Acetylacetaldehyde dimethyl acetal Properties

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
FLAVIS Number 06.038 | 4,4-Dimethoxybutan-2-one
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
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)
Substances Added to Food (formerly EAFUS) 3-OXOBUTANAL, DIMETHYL ACETAL
EWG's Food Scores 1
FDA UNII 0IZ188B2ZA
NIST Chemistry Reference 2-Butanone, 4,4-dimethoxy-(5436-21-5)
EPA Substance Registry System 2-Butanone, 4,4-dimethoxy- (5436-21-5)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P233-P240-P241-P242-P243
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
REACH Registrations Inactive
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704
2
1 0

Acetylacetaldehyde dimethyl acetal price More Price(82)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 380067 4,4-Dimethoxy-2-butanone technical grade, ≥90% 5436-21-5 100ml $100 2026-04-30 Buy
Sigma-Aldrich 380067 4,4-Dimethoxy-2-butanone technical grade, ≥90% 5436-21-5 500ml $153 2026-04-30 Buy
TCI Chemical D1157 1,1-Dimethoxy-3-butanone >90.0%(GC) 5436-21-5 25mL $27 2026-04-30 Buy
TCI Chemical D1157 1,1-Dimethoxy-3-butanone >90.0%(GC) 5436-21-5 100mL $61 2026-04-30 Buy
Usbiological 233570 4,4-Dimethoxy-2-butanone ≥92% (GC) ≥92%(GC) 5436-21-5 25g $156 2026-06-03 Buy
Product number Packaging Price Buy
380067 100ml $100 Buy
380067 500ml $153 Buy
D1157 25mL $27 Buy
D1157 100mL $61 Buy
233570 25g $156 Buy

Acetylacetaldehyde dimethyl acetal Chemical Properties,Uses,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

Methyl formate

107-31-3

Acetone

67-64-1

Acetylacetaldehyde dimethyl acetal

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

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View Lastest Price from Acetylacetaldehyde dimethyl acetal manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4,4-Dimethoxy-2-butanone pictures 2026-07-24 4,4-Dimethoxy-2-butanone
5436-21-5
1KG 99% 100mt/year Jinan Finer Chemical Co., Ltd
4, 4-Dimethoxy-2-Butanone pictures 2026-05-28 4, 4-Dimethoxy-2-Butanone
5436-21-5
$2.00-5.00 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
4,4-Dimethoxy-2-butanone pictures 2026-05-06 4,4-Dimethoxy-2-butanone
5436-21-5
$29.00 98.25% 10g TargetMol Chemicals Inc.
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