Dimethyl allylmalonate

Basic Information

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CAS Number

40637-56-7

Molecular Formula

C8H12O4

Molecular Weight

172.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-80°C

Boiling Point

207 °C/771 mmHg

Refractive Index

n20/D 1.435(lit.)

SMILES

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COC(=O)C(CC=C)C(=O)OC

InChI

InChI=1S/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3

InChIKey

VZNFVLWVVHHMBG-UHFFFAOYSA-N

LogP

0.5246999999999999

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

170

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

EINECS 255-017-8
EN300-123355
SCHEMBL452544
Dimethyl 2-allylmalonate #
40637-56-7
NS00030825
Dimethyl2-allylmalonate
Dimethyl allylmalonate
Dimethyl allylmalonate, 98%
AS-12604
DTXSID40193642
MFCD00014959
InChI=1/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H
dimethyl 2-allylpropanedioate;Dimethyl allylmalonate
FT-0622050
SY061996
Dimethyl 2-allylmalonate
A825209
FT-0625036
dimethyl 2-prop-2-enylpropanedioate
Propanedioic acid, 2-propenyl-, dimethyl ester
prop-2-enyl-propanedioic acid dimethyl ester
J-802194
VZNFVLWVVHHMBG-UHFFFAOYSA-N
CS-W017611
1,3-dimethyl 2-(prop-2-en-1-yl)propanedioate
AKOS005206818
2-allyl-propanedioic acid dimethyl ester
dimethyl allylmalonate
Allylmalonic acid dimethyl ester
VZ31900

MDL Number

MFCD00014959

Customs Code

2917190090

FAQ

What is Dimethyl allylmalonate (CAS: 40637-56-7)?

Dimethyl allylmalonate (CAS: 40637-56-7) is a colorless or light yellow liquid with a characteristic odor. It is an organic compound used in various applications due to its unique chemical properties.

What are the main uses of Dimethyl allylmalonate (CAS: 40637-56-7)?

Dimethyl allylmalonate (CAS: 40637-56-7) is primarily used in the synthesis of pharmaceuticals, agrochemicals, and flavor and fragrance compounds. It is also utilized in research and development for its versatile reactivity.

Is Dimethyl allylmalonate (CAS: 40637-56-7) safe?

Dimethyl allylmalonate (CAS: 40637-56-7) is generally considered safe when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight and heat sources to minimize the risk of decomposition and fire hazards.

How should Dimethyl allylmalonate (CAS: 40637-56-7) be stored?

Dimethyl allylmalonate (CAS: 40637-56-7) should be stored in a cool, dry, and shaded area to prevent degradation. It is recommended to use a sealed container made of appropriate materials that are resistant to the compound's reactivity. Avoid exposure to heat, sparks, and oxidizing agents.