CAS No.6044-68-4,Acrolein dimethyl acetal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6044-68-4
Name:	Acrolein dimethyl acetal
Article Data:	15

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:	F
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

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

...Expand

: 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

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

...Expand

: 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

Conditions	Yield
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%

...Expand

: 35502-06-8
3-chloropropionaldehyde dimethyl acetal

: 6044-68-4
3,3-dimethoxyprop-1-ene

Conditions

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 67-56-1
methanol

: 107-02-8
acrolein

: 6044-68-4
3,3-dimethoxyprop-1-ene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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: 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.