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Methallyl acetate

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Name

Methallyl acetate

EINECS 212-471-1
CAS No. 820-71-3 Density 0.906 g/cm3
PSA 26.30000 LogP 1.12560
Solubility N/A Melting Point N/A
Formula C6H10O2 Boiling Point 122 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 46.9 °C
Transport Information N/A Appearance liquid
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 820-71-3 (Methallyl acetate) Hazard Symbols 10-36/37/38:;
Synonyms

2-Propen-1-ol,2-methyl-, acetate (6CI,7CI,8CI,9CI);1-Acetoxy-2-methyl-2-propene;2-Methyl-2-propen-1-ol acetate;2-Methylallyl acetate;3-Acetoxy-2-methylprop-1-ene;Acetic acid 2-methyl-2-propenyl ester;Methallylacetate;b-Methallyl acetate;

Article Data 39

Methallyl acetate Synthetic route

108-24-7

acetic anhydride

513-42-8

3-hydroxy-2-methyl-1-propene

820-71-3

methallyl acetate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;97%
With ruthenium trichloride at 40℃; for 0.5h; Inert atmosphere; Ionic liquid;93%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;85%
127-09-3

sodium acetate

563-47-3

3-Chloro-2-methylpropene

A

820-71-3

methallyl acetate

B

513-42-8

3-hydroxy-2-methyl-1-propene

Conditions
ConditionsYield
With sodium D-gluconate; copper(II) sulfate In water for 4h; Reagent/catalyst; Reflux;A 92%
B 5.5%
127-09-3

sodium acetate

563-47-3

3-Chloro-2-methylpropene

820-71-3

methallyl acetate

Conditions
ConditionsYield
In acetic acid at 100℃; for 48h;85%
In 1-methyl-pyrrolidin-2-one at 100 - 120℃; for 1.5h;193 g
With copper(l) chloride In water at 70 - 94℃;520 g
75-36-5

acetyl chloride

513-42-8

3-hydroxy-2-methyl-1-propene

820-71-3

methallyl acetate

Conditions
ConditionsYield
With pyridine at 5℃; for 0.25h;72%
594-34-3

1,2-dibromo-2-methyl-propane

127-09-3

sodium acetate

820-71-3

methallyl acetate

Conditions
ConditionsYield
With acetic acid
64-19-7

acetic acid

513-42-8

3-hydroxy-2-methyl-1-propene

820-71-3

methallyl acetate

Conditions
ConditionsYield
durch langsame Destillation;
26170-10-5

2-methyl-5-methylene-[1,3]dioxane

820-71-3

methallyl acetate

Conditions
ConditionsYield
at 550℃; for 45h;
64-19-7

acetic acid

115-11-7

isobutene

820-71-3

methallyl acetate

Conditions
ConditionsYield
With palladium diacetate
64-19-7

acetic acid

563-47-3

3-Chloro-2-methylpropene

820-71-3

methallyl acetate

Conditions
ConditionsYield
With trimethylamine

C6H10N2O2

A

7554-65-6

4-methyl-1H-pyrazole

B

820-71-3

methallyl acetate

Conditions
ConditionsYield
With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yield given;
With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yields of byproduct given;

Methallyl acetate Specification

The Methallyl acetate with the CAS number 820-71-3 is also called 2-Propen-1-ol,2-methyl-, 1-acetate. The IUPAC name is 2-methylprop-2-enyl acetate. Its molecular formula is C6H10O2. The EINECS registry number is 212-471-1. The product category is Monomer.

The properties of the Methallyl acetate are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.81; (6)ACD/BCF (pH 7.4): 8.81; (7)ACD/KOC (pH 5.5): 165.25; (8)ACD/KOC (pH 7.4): 165.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 31.18 cm3; (15)Molar Volume: 125.9 cm3; (16)Polarizability: 12.36×10-24cm3; (17)Surface Tension: 24.6 dyne/cm; (18)Enthalpy of Vaporization: 36.01 kJ/mol; (19)Vapour Pressure: 14.2 mmHg at 25°C.

Uses: This chemical can react with butyraldehyde to prepare 1-acetoxy-2-methyl-heptan-4-one. This reaction needs reagent (PhCO)2O2 at heating condition.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=C)\C)C
(2)InChI: InChI=1/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
(3)InChIKey: IVKYUXHYUAMPMT-UHFFFAOYAK

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