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Acetylacetaldehyde dimethyl acetal

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Name

Acetylacetaldehyde dimethyl acetal

EINECS 226-605-1
CAS No. 5436-21-5 Density 0.959 g/cm3
PSA 35.53000 LogP 0.58440
Solubility decomposes in water Melting Point -82 °C
Formula C6H12O3 Boiling Point 172.1 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 49.4 °C
Transport Information UN 1989 3/PG 3 Appearance Clear colorless to yellow liquid
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 5436-21-5 (Acetylacetaldehyde dimethyl acetal) Hazard Symbols FlammableF
Synonyms

Acetoacetaldehyde,1-(dimethyl acetal) (6CI,7CI,8CI);1,1-Dimethoxy-3-butanone;3-Oxobutyraldehyde1-(dimethyl acetal);3-Oxobutyraldehyde dimethyl acetal;4,4-Dimethoxy-2-butanone;Formylacetone dimethyl acetal;NSC 21538;NSC 59721;b-Oxobutyraldehyde dimethyl acetal;

Article Data 38

Acetylacetaldehyde dimethyl acetal Synthetic route

67-56-1

methanol

51731-17-0

trans-4-methoxy-3-buten-2-one

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
pyrrolidine; methanesulfonic acid at 20℃; for 28h; oxy-Michael reaction;99%
72380-56-4

3-butenal dimethyl acetal

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With tert.-butylhydroperoxide; C21H19N5Pd(2+)*2BF4(1-) In decane; acetonitrile at 70℃; for 24h; Temperature; Wacker Oxidation;95%
78-83-1

2-methyl-propan-1-ol

57155-06-3

(Z)-4-methoxybut-3-en-2-one

A

5436-21-5

acetylacetaldehyde dimethyl acetal

B

85716-38-7

4-isobutoxy-but-3-en-2-one

C

4-isobutoxy-4-methoxybutan-2-one

Conditions
ConditionsYield
for 10h; Heating; Yields of byproduct given;A n/a
B 90%
C n/a
1833-53-0

2-(Trimethylsilyloxy)propene

149-73-5

trimethyl orthoformate

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With zinc(II) chloride In ethyl acetate at 20 - 25℃; for 2h;87%
dodecacarbonyltetrarhodium(0) In benzene at 100℃; for 18h;48%
625-34-3

3-oxobutyraldehyde

149-73-5

trimethyl orthoformate

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With tropylium tetrafluoroborate In acetonitrile at 70℃; for 5h; Inert atmosphere; Green chemistry; chemoselective reaction;69%
2798-73-4

1-methoxy-buten-3-yne

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With water; mercury(II) sulfate In diethylene glycol at 80℃; for 0.5h;14%
67-56-1

methanol

2798-73-4

1-methoxy-buten-3-yne

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With sulfuric acid
With mercury(II) sulfate In water
With sulfuric acid; water
67-56-1

methanol

56-23-5

tetrachloromethane

7119-27-9

4-chloro-3-buten-2-one

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
at -15 - -10℃;
at -15 - -10℃;
67-56-1

methanol

7119-27-9

4-chloro-3-buten-2-one

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With sodium hydroxide at -15 - -10℃;
With sodium hydroxide at -15 - -10℃;
67-56-1

methanol

56699-02-6

1-methoxy-3-methylsulfanyl-buta-1,2-diene

5436-21-5

acetylacetaldehyde dimethyl acetal

Conditions
ConditionsYield
With mercury dichloride

Acetylacetaldehyde dimethyl acetal Chemical Properties

IUPAC Name: 4,4-Dimethoxybutan-2-one
Molecular Formula: C6H12O3
Molecular Weight: 132.16g/mol
EINECS: 226-605-1
Melting Point: -82 ºC
Freely Rotating Bonds: 4
Polar Surface Area: 35.53Å2
Index of Refraction: 1.398
Molar Refractivity: 33.32 cm3
Molar Volume: 137.7 cm3
Polarizability: 13.21 ×10-24cm3
Surface Tension: 26.5 dyne/cm
Density: 0.959 g/cm3
Flash Point: 49.4 °C
Enthalpy of Vaporization: 40.85 kJ/mol
Boiling Point: 172.1 °C at 760 mmHg
Vapour Pressure: 1.35 mmHg at 25°C 
The Cas Register Number of 4,4-Dimethoxy-2-butanone is 5436-21-5 .The chemical synonyms of 4,4-Dimethoxy-2-butanone (CAS No.5436-21-5) are Fema 3381 ; Fadma ; Formylacetone dimethyl acetal ; Kba ; 1,1-Dimethoxy butanone-3 ; 1,1-Dimethoxy-3-butanone ; Aadma ; Acetylacetaldehyde dimethyl acetal .Product categories of 4,4-Dimethoxy-2-butanone (CAS No.5436-21-5) are Pharmaceutical intermediates .The molecular structure of 4,4-Dimethoxy-2-butanone (CAS No.5436-21-5) is.

Acetylacetaldehyde dimethyl acetal Toxicity Data With Reference

1.    

 ratLD50:6200mg/kg

    National Technical Information Service. Vol. OTS0534674,

Acetylacetaldehyde dimethyl acetal Safety Profile

Hazard Codes: FlammableF  
Risk Statements: 10 
R10: Flammable.
Safety Statements: 16
RIDADR: UN 1989 3/PG 3
WGK Germany: 2
RTECS: EL7592500
HazardClass: 3
PackingGroup: III
HS Code: 29145000

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