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| CAS No.: | 3054-95-3 |
|---|---|
| Name: | Acrolein diethyl acetal |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | Acrolein,diethyl acetal (7CI,8CI);Propene, 3,3-diethoxy- (8CI);1,1-Diethoxy-2-propene;3,3-Diethoxy-1-propene;3,3-Diethoxypropene;Acrylylaldehyde diethyl acetal;Propenal diethyl acetal; |
| EINECS: | 221-276-0 |
| Density: | 0.854 g/cm3 |
| Melting Point: | 120-125°C |
| Boiling Point: | 123.5 °C at 760 mmHg |
| Flash Point: | 22.3 °C |
| Solubility: | Soluble in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36 |
| Safety: | 9-16-26-33-29-7/9 |
| Transport Information: | UN 2374 3/PG 2 |
| PSA: | 18.46000 |
| LogP: | 1.57150 |
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- 852475-26-4MC1568
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aminopropane diethyl acetal
- 3054-95-3
acrylaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| With 2-hydroxynitrobenzene; strontium chloride; sodium sulfite In acetonitrile at 135℃; for 9h; Temperature; Time; | 83% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid | 74% |
| With perchloric acid In ethanol for 0.5h; | 60% |
| With toluene-4-sulfonic acid In ethanol | 48% |
| Conditions | Yield |
|---|---|
| 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran at 0℃; for 3h; | A 11% B 55% C 11% |
- 35573-93-4
3-chloro-1,1-diethoxy-propane
- 3054-95-3
acrylaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| With potassium hydroxide | |
| With alkali | |
| With potassium tert-butylate | |
| With alkali Darst.; |
- 856983-92-1
3-butoxy-propionaldehyde diethylacetal
A
- 3054-95-3
acrylaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| analog der Verbindung /BRN= 1738268/;ensteht ein Gemisch der Stereoisomeren; |
| Conditions | Yield |
|---|---|
| With alkaline solution | |
| With potassium tert-butylate In tert-butyl alcohol |
- 64-17-5
ethanol
- 107-02-8
acrolein
A
- 7789-92-6
1,1,3-Triethoxy-propane
B
- 3054-95-3
acrylaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| With dichloromethane; ammonium chloride |
| Conditions | Yield |
|---|---|
| With aluminum oxide; silica gel; zirconium(IV) oxide | |
| With toluene-4-sulfonic acid; Petroleum ether | |
| With toluene-4-sulfonic acid |
- 64-17-5
ethanol
- 78238-85-4, 78238-86-5
(1R,2R)-1-Bromo-2-ethoxy-cyclopropane
- 3054-95-3
acrylaldehyde diethyl acetal
| Conditions | Yield |
|---|---|
| With potassium carbonate Heating; Yield given; |
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Chemistry
IUPAC Name: 3,3-Diethoxyprop-1-ene
Synonyms of Acrolein diethyl acetal (CAS NO.3054-95-3): 1,1-Diethoxy-2-propene ; 1,1-Diethoxy-2-propene ; 3,3-Diethoxy-1-propene ; 3,3-Diethoxypropene ; Acrolein diethyl acetal ; Acrylaldehyde diethyl acetal ; Propenal diethyl acetal ; 1-Propene, 3,3-diethoxy- ; 1-Propene, 3,3-diethoxy- (9CI) ; Acrolein, diethyl acetal (8CI)
CAS NO: 3054-95-3
Molecular Formula: C7H14O2
Molecular Weight: 130.18
Molecular Structure: 
EINECS: 221-276-0
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.409
Molar Refractivity: 37.65 cm3
Molar Volume: 152.2 cm3
Surface Tension: 23.8 dyne/cm
Density: 0.854 g/cm3
Flash Point: 22.3 °C
Enthalpy of Vaporization: 34.65 kJ/mol
Boiling Point: 123.5 °C at 760 mmHg
Vapour Pressure: 16 mmHg at 25°C
Storage temp: 2-8°C
Appearance: clear colorless liquid
SMILES: C=CC(OCC)OCC
Product Categories of Acrolein diethyl acetal (CAS NO.3054-95-3): Pharmaceutical Intermediates;pharmacetical
Uses
Acrolein diethyl acetal (CAS NO.3054-95-3) is used as an important intermediate in the pharmaceutical, dyes and organic synthesis industry.
Toxicity Data With Reference
| 1. | mma-sat 5 µg/plate | TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. 1 (1980),259. |
Safety Profile
Safty informations about Acrolein diethyl acetal (CAS NO.3054-95-3):
Hazard Codes: 
Xi
F
Risk Statements:11-36
11: Highly Flammable
36: Irritating to the eyes
Safety Statements: 9-16-26-33-29-7/9
9: Keep container in a well-ventilated place
16: Keep away from sources of ignition-No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
33: Take precautionary measures against static discharges
29: Do not empty into drains
7/9: Keep container tightly closed and in a well-ventilated place
RIDADR: UN 2374 3/PG 2
WGK Germany: 3
RTECS: AS1370000
F: 8-13
HazardClass: 3
Mutation data reported. A flammable liquid. A dangerous fire hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits acrid smoke and fumes.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Handling and Storage:
Storage: Keep Acrolein diethyl acetal in a cool, dry, dark location in a tightly sealed container or cylinder. Keep it away from incompatible materials, ignition sources and untrained individuals. Protect containers/cylinders from physical damage.
Handling: All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.