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CAS No.: | 5436-21-5 |
---|---|
Name: | Acetylacetaldehyde dimethyl acetal |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C6H12O3 |
Molecular Weight: | 132.159 |
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; |
EINECS: | 226-605-1 |
Density: | 0.959 g/cm3 |
Melting Point: | -82 °C |
Boiling Point: | 172.1 °C at 760 mmHg |
Flash Point: | 49.4 °C |
Solubility: | decomposes in water |
Appearance: | Clear colorless to yellow liquid |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1989 3/PG 3 |
PSA: | 35.53000 |
LogP: | 0.58440 |
Conditions | Yield |
---|---|
pyrrolidine; methanesulfonic acid at 20℃; for 28h; oxy-Michael reaction; | 99% |
3-butenal dimethyl acetal
acetylacetaldehyde dimethyl acetal
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; C21H19N5Pd(2+)*2BF4(1-) In decane; acetonitrile at 70℃; for 24h; Temperature; Wacker Oxidation; | 95% |
2-methyl-propan-1-ol
(Z)-4-methoxybut-3-en-2-one
A
acetylacetaldehyde dimethyl acetal
B
4-isobutoxy-but-3-en-2-one
Conditions | Yield |
---|---|
for 10h; Heating; Yields of byproduct given; | A n/a B 90% C n/a |
2-(Trimethylsilyloxy)propene
trimethyl orthoformate
acetylacetaldehyde dimethyl acetal
Conditions | Yield |
---|---|
With zinc(II) chloride In ethyl acetate at 20 - 25℃; for 2h; | 87% |
dodecacarbonyltetrarhodium(0) In benzene at 100℃; for 18h; | 48% |
Conditions | Yield |
---|---|
With tropylium tetrafluoroborate In acetonitrile at 70℃; for 5h; Inert atmosphere; Green chemistry; chemoselective reaction; | 69% |
Conditions | Yield |
---|---|
With water; mercury(II) sulfate In diethylene glycol at 80℃; for 0.5h; | 14% |
Conditions | Yield |
---|---|
With sulfuric acid | |
With mercury(II) sulfate In water | |
With sulfuric acid; water |
methanol
tetrachloromethane
4-chloro-3-buten-2-one
acetylacetaldehyde dimethyl acetal
Conditions | Yield |
---|---|
at -15 - -10℃; | |
at -15 - -10℃; |
Conditions | Yield |
---|---|
With sodium hydroxide at -15 - -10℃; | |
With sodium hydroxide at -15 - -10℃; |
methanol
1-methoxy-3-methylsulfanyl-buta-1,2-diene
acetylacetaldehyde dimethyl acetal
Conditions | Yield |
---|---|
With mercury dichloride |
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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.
1. | ratLD50:6200mg/kg | National Technical Information Service. Vol. OTS0534674, |
Hazard Codes: F
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