Basic information
- Name:
1-Propene, 3,3-diethoxy-
- Superlist Name:
- Acrolein diethyl acetal
- CAS No.:
3054-95-3
- Molecular Structure:
- Formula:
- C7H14O2
- Molecular Weight:
- 130.21
- 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 Description:
- 9-16-26-33-29-7/9 Details
- Transport Information:
- UN 2374 3/PG 2
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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.
