Basic information
- Name:
Acrolein dimethyl acetal
- CAS No.:
6044-68-4
- Molecular Structure:
- Formula:
- C5H10O2
- Molecular Weight:
- 102.14
- Synonyms:
- Acrolein,dimethyl acetal (6CI,7CI,8CI);1,1-Dimethoxyprop-2-ene;2-Propenal, dimethylacetal;3,3-Dimethoxy-1-propene;3,3-Dimethoxypropene;
- EINECS:
- 227-936-4
- Density:
- 0.856 g/cm3
- Boiling Point:
- 89.5 °C at 760 mmHg
- Flash Point:
- 27 °F
- Appearance:
- colorless clear liquid
- Hazard Symbols:
F- Risk Codes:
- 11
- Safety Description:
- 16-23-24/25-29-33 Details
- Transport Information:
- UN 3384 6.1/PG 1
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Chemistry
IUPAC Name: 3,3-Dimethoxyprop-1-ene
Synonyms of Acrolein dimethyl acetal (CAS NO.6044-68-4): 1-Propene, 3,3-dimethoxy- ; 1-Propene, 3,3-dimethoxy- ; 3,3-Dimethoxypropene
CAS NO: 6044-68-4
The Molecular formula: C5H10O2
The Molecular Weight: 102.13
Molecular Structure: 
EINECS:227-936-4
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.391
Molar Refractivity: 28.38 cm3
Molar Volume: 119.2 cm3
Surface Tension: 21.4 dyne/cm
Density: 0.856 g/cm3
Flash Point: 27 °F
Enthalpy of Vaporization: 31.59 kJ/mol
Boiling Point: 89.5 °C at 760 mmHg
Vapour Pressure: 66 mmHg at 25°C
Storage temp: 2-8°C
Appearance: Colorless clear liquid
Product Categories of Acrolein dimethyl acetal (CAS NO.6044-68-4): Pharmaceutical Intermediates
SMILES: C=CC(OC)OC
InChI: InChI=1/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChIKey: OBWGMYALGNDUNM-UHFFFAOYAG
Std. InChI: InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
Std. InChIKey: OBWGMYALGNDUNM-UHFFFAOYSA-N
Uses
Acrolein dimethyl acetal (CAS NO.6044-68-4) is used as a pharmaceutical intermediate.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX03553, |
Safety Profile
Safty informations about Acrolein dimethyl acetal (CAS NO.6044-68-4):
Hazard Codes: 
F
Risk Statements: 11
R11: Highly flammable.
Safety Statements: 16-23-24/25-29-33
S16: Keep away from sources of ignition.
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S29: Do not empty into drains.
S33: Take precautionary measures against static discharges.
RIDADR: UN 3384 6.1/PG 1
WGK Germany: 3
RTECS: UC8500000
HazardClass: 3.1
PackingGroup: II
A very dangerous fire hazard when exposed to heat, flame oxidizers. May form dangerous peroxides upon exposure to air. When heated to decomposition it emits acrid smoke and fumes. See also ALLYL COMPOUNDS.
