CAS No.820-71-3,Methallyl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	820-71-3
Name:	Methallyl acetate
Article Data:	39

Formula:	C₆H₁₀O₂
Molecular Weight:	114.144
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;
EINECS:	212-471-1
Density:	0.906 g/cm³
Boiling Point:	122 °C at 760 mmHg
Flash Point:	46.9 °C
Appearance:	liquid
Hazard Symbols:	10-36/37/38:;
Risk Codes:	10-36/37/38
Safety:	16-26-36
PSA:	26.30000
LogP:	1.12560

Synthetic route

: 108-24-7
acetic anhydride

: 513-42-8
3-hydroxy-2-methyl-1-propene

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
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

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

...Expand

: 127-09-3
sodium acetate

: 563-47-3
3-Chloro-2-methylpropene

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With acetic acid

: 64-19-7
acetic acid

: 513-42-8
3-hydroxy-2-methyl-1-propene

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
durch langsame Destillation;

: 26170-10-5
2-methyl-5-methylene-[1,3]dioxane

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
at 550℃; for 45h;

: 64-19-7
acetic acid

: 115-11-7
isobutene

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
With palladium diacetate

: 64-19-7
acetic acid

: 563-47-3
3-Chloro-2-methylpropene

: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
With trimethylamine

: C6H10N2O2

A: 7554-65-6
4-methyl-1H-pyrazole

B: 820-71-3
methallyl acetate

Conditions

Conditions	Yield
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;

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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