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Basic Information

Molecular Structure:
CAS No.:	116-11-0
Name:	2-Methoxypropene
Article Data:	51
Cas Database

Formula:	C₄H₈O
Molecular Weight:	72.1069
Synonyms:	Isopropenyl methyl ether;Methyl 1-methylvinyl ether;Methyl isopropenyl ether;Ether,isopropenyl methyl (6CI,7CI,8CI);2-Methoxyprop-1-ene;
EINECS:	204-125-3
Density:	0.752 g/cm³
Melting Point:	< 25oC
Boiling Point:	32 °C at 760 mmHg
Flash Point:	-29 °C
Solubility:	negligible in water
Appearance:	clear colorless liquid
Hazard Symbols:	F+,Xn
Risk Codes:	12-19-22
Safety:	3-16-29-33-7/9-9-18
Transport Information:	UN 1993 3/PG 1
PSA:	9.23000
LogP:	1.16640

Synthetic route

: 67-56-1
methanol

: 74-99-7
prop-1-yne

: 116-11-0
2-Methoxypropene

Conditions

Conditions	Yield
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 120℃;	97%
With potassium hydroxide at 220℃;

: 77-76-9
2,2-dimethoxy-propane

: 116-11-0
2-Methoxypropene

Conditions

Conditions	Yield
With quinoline at 30 - 105℃; under 12751.3 Torr; Temperature; Pyrolysis;	93.6%
With quinoline; toluene-4-sulfonic acid at 90℃; for 9h; Catalytic behavior; Reagent/catalyst; Temperature;	92.8%
With (trimethylsilyl)manganese pentacarbonyl In acetonitrile at 50℃; for 2h; Mechanism;	77 % Spectr.

: 124-38-9
carbon dioxide

: 77-76-9
2,2-dimethoxy-propane

A: 116-11-0
2-Methoxypropene

B: 67-64-1
acetone

C: 616-38-6
carbonic acid dimethyl ester

Conditions

Conditions	Yield
With dibutyldimethoxytin at 180℃; under 1520000 Torr; for 24h; Product distribution; metal-catalyzed reaction of acetals with CO2; effect of catalyst structure; effect of additives; pressure effect; possible mechanism;	A n/a B 85% C 88%

...Expand

: 463-49-0
1,2-propanediene

: 74-99-7
prop-1-yne

: 116-11-0
2-Methoxypropene

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium tert-butylate In methanol	60%
In methanol	47%

: 2465-56-7
methylene

: 67-64-1
acetone

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 13372-34-4
2,2,4,4-tetramethyl-[1,3]dioxolane

C: 116-11-0
2-Methoxypropene

D: 78-93-3
butanone

...Expand

: 110-86-1
pyridine

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 116-11-0
2-Methoxypropene

B: 425-24-1
tert-butyl heptafluorobutyrate

C: 95682-68-1
pyridinium heptafluorobutyrate

D: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
In toluene at 85℃; for 7h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 110-86-1
pyridine

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 116-11-0
2-Methoxypropene

B: 425-24-1
tert-butyl heptafluorobutyrate

C: 95682-68-1
pyridinium heptafluorobutyrate

D: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

E: 115-11-7
isobutene

Conditions

Conditions	Yield
In toluene at 65 - 85℃; for 7h; Rate constant; Kinetics; Thermodynamic data; ΔH(act.), ΔS(act.), various temperature;

...Expand

: 67-56-1
methanol

: 463-49-0
1,2-propanediene

A: 116-11-0
2-Methoxypropene

B: 77-76-9
2,2-dimethoxy-propane

C: 67-64-1
acetone

Conditions

Conditions	Yield
sodium hydroxide at 190℃; Rate constant; other temperatures;

...Expand

: 99797-07-6
2-acyl-2,3-dimethyl-3-methoxyoxetane

A: 116-11-0
2-Methoxypropene

B: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
In various solvent(s) Product distribution; Irradiation; infrared multiphoton induced photolysis; the luminescence of the reaction mixture was also investigated;

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 375-22-4
heptafluorobutyric Acid

B: 116-11-0
2-Methoxypropene

C: 79-20-9
acetic acid methyl ester

D: 2-(1-methoxy-1-methylethoxy)-2-methylpropane

Conditions

Conditions	Yield
In pyridine at 50℃; for 12h; Product distribution;	A 0.91 % Turnov. B 0.46 % Turnov. C 0.03 % Turnov. D 0.21 % Turnov.

...Expand

Raw Materials

67-56-1

74-99-7

124-38-9

74-83-9

Downstream Products

110-93-0

Total:123 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

Molecular Structure of 2-Methoxypropene (CAS NO.116-11-0):

IUPAC Name: 2-Methoxyprop-1-ene
Molecular Formula: C₄H₈O
Molecular Weight: 72.11
EINECS: 204-125-3
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Melting Point: < 25 °C
Index of Refraction: 1.374
Molar Refractivity: 21.89 cm³
Molar Volume: 95.8 cm³
Surface Tension: 17.5 dyne/cm
Density: 0.752 g/cm³
Flash Point: -29 °C
Enthalpy of Vaporization: 26.59 kJ/mol
Boiling Point: 32 °C at 760 mmHg
Vapour Pressure: 591 mmHg at 25 °C
Storage temp.: 2-8 °C
Water Solubility: negligible
Sensitive Light :Sensitive
Appearance: clear colorless liquid
Canonical SMILES: CC(=C)OC
InChI: InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
InChIKey: YOWQWFMSQCOSBA-UHFFFAOYSA-N
Product Categories: Propanes/propenes; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry

Uses

2-Methoxypropene (CAS NO.116-11-0) can be used for pharmaceutical intermediates.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
rabbit	LD50	skin	> 20mL/kg (20mL/kg)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LCLo	inhalation	64000ppm/4H (64000ppm)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LD50	oral	1870uL/kg (1.87mL/kg)	American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Slightly toxic by inhalation.
Safety Information of 2-Methoxypropene (CAS NO.116-11-0):
Hazard Codes: Highly F+ Harmful Xn
Risk Statements: 12-19-22
R12:Extremely flammable.
R19:May form explosive peroxides.
R22:Harmful if swallowed.
Safety Statements: 3-16-29-33-7/9-9-18
S3:Keep in a cool place.
S16:Keep away from sources of ignition.
S29:Do not empty into drains.
S33:Take precautionary measures against static discharges.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
S18:Handle and open container with care.
RIDADR: UN 1993 3/PG 1
WGK Germany: 1
RTECS: UD0800000
F: 8-10
HazardClass: 3
PackingGroup: I

Specification

2-Methoxypropene (CAS NO.116-11-0), its Synonyms are 1-Propene, 2-methoxy- ; 2-Methoxy-1-propene ; Ether, isopropenyl methyl ; Isopropenyl methyl ether ; Methyl isopropenyl ether ; Propene, 2-methoxy- ; 2-Methoxyprop-1-ene .