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Basic Information
CAS No.: 6044-68-4
Name: Acrolein dimethyl acetal
Molecular Structure:
Molecular Structure of 6044-68-4 (Acrolein dimethyl acetal)
Formula: C5H10O2
Molecular Weight: 102.133
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: FlammableF
Risk Codes: 11
Safety: 16-23-24/25-29-33
Transport Information: UN 3384 6.1/PG 1
PSA: 18.46000
LogP: 0.79130
Synthetic route
67-56-1

methanol

107-02-8

acrolein

A

6044-68-4

3,3-dimethoxyprop-1-ene

B

292638-85-8

acrylic acid methyl ester

Conditions
ConditionsYield
With oxygen; Pd5-Bi2-Fe1/(100)SiO2-MgO for 4h;A n/a
B 91.5%
67-56-1

methanol

3739-64-8

allyl n-butyl ether

A

6044-68-4

3,3-dimethoxyprop-1-ene

B

106521-18-0

3-n-butyloxy-3-methoxy-1-propene

Conditions
ConditionsYield
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation;A 25%
B 37%
67-56-1

methanol

557-40-4

Allyl ether

A

6044-68-4

3,3-dimethoxyprop-1-ene

B

113443-66-6

3-allyloxy-3-methoxy-1-propene

Conditions
ConditionsYield
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation;A 9%
B 35%
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation;A 9%
B 35%
35502-06-8

3-chloropropionaldehyde dimethyl acetal

6044-68-4

3,3-dimethoxyprop-1-ene

Conditions
ConditionsYield
With potassium hydroxide
36255-44-4

3-bromopropanal dimethyl acetal

124-41-4

sodium methylate

6044-68-4

3,3-dimethoxyprop-1-ene

14315-97-0

1,1,3-trimethoxypropane

A

6044-68-4

3,3-dimethoxyprop-1-ene

B

78300-84-2

dimethoxypropene

Conditions
ConditionsYield
With quinoline; diisopropyl sulfate at 350℃;
With quinoline; diisopropyl sulfate at 350℃; entsteht ein Gemisch der stereoisomeren;
36255-44-4

3-bromopropanal dimethyl acetal

127-09-3

sodium acetate

64-19-7

acetic acid

6044-68-4

3,3-dimethoxyprop-1-ene

67-56-1

methanol

107-02-8

acrolein

6044-68-4

3,3-dimethoxyprop-1-ene

Conditions
ConditionsYield
With toluene-4-sulfonic acid; Petroleum ether
With copper dichloride
67-56-1

methanol

13169-00-1

Methoxyallene

6044-68-4

3,3-dimethoxyprop-1-ene

Conditions
ConditionsYield
With toluene-4-sulfonic acid In diethyl ether Heating;
107-02-8

acrolein

149-73-5

trimethyl orthoformate

6044-68-4

3,3-dimethoxyprop-1-ene

Conditions
ConditionsYield
With ammonium nitrate In methanol
With ammonium nitrate In methanol for 5h; Ambient temperature;
With ammonium nitrite In methanol for 8h; Heating;
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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: FlammableF
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.