Diethyl diisobutylmalonate

Basic Information

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CAS Number

81749-14-6

Molecular Formula

C15H28O4

Molecular Weight

272.39 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

102°C/5.3mmHg

Density

0.96

Refractive Index

1.4330-1.4370

SMILES

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CCOC(=O)C(CC(C)C)(CC(C)C)C(=O)OCC

InChI

InChI=1S/C15H28O4/c1-7-18-13(16)15(9-11(3)4,10-12(5)6)14(17)19-8-2/h11-12H,7-10H2,1-6H3

InChIKey

NIXFNZVGGMZGPZ-UHFFFAOYSA-N

LogP

3.191200000000002

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

265

Synonyms & References

English

SCHEMBL234014
MFCD00191422
FT-0762571
NIXFNZVGGMZGPZ-UHFFFAOYSA-N
1,3-DIETHYL 2,2-BIS(2-METHYLPROPYL)PROPANEDIOATE
D90028
Diethyl 2,2-bis(2-methylpropyl)propanedioate
81749-14-6
Diisobutylmalonic Acid Diethyl Ester
DiisobutylmalonicAcidDiethylEster
diethyl 2,2-diisobutylmalonate
Diethyl Diisobutylmalonate
D2280
Propanedioic acid, bis(2-Methylpropyl)-, diethyl ester

MDL Number

MFCD00191422

Customs Code

2917190090

FAQ

What is Diethyl diisobutylmalonate (CAS: 81749-14-6)?

Diethyl diisobutylmalonate (CAS: 81749-14-6) is an organic compound with the chemical formula C12H22O4. It is a colorless to pale yellow liquid with a fruity odor. This compound is used in the synthesis of various chemicals, as a reagent in organic synthesis, and as a flavoring agent in the food industry.

What are the main uses of Diethyl diisobutylmalonate (CAS: 81749-14-6)?

Diethyl diisobutylmalonate (CAS: 81749-14-6) is primarily used as a reagent in organic synthesis, particularly for the preparation of other malonates and related compounds. It is also used in the food industry as a flavoring agent, providing a fruity taste. Additionally, it is employed in pharmaceuticals as a raw material for the production of certain drugs.

Is Diethyl diisobutylmalonate (CAS: 81749-14-6) safe?

Diethyl diisobutylmalonate (CAS: 81749-14-6) is generally considered safe for industrial and food use when handled properly. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment, to avoid skin and eye irritation. Proper disposal is also necessary to prevent environmental contamination.

How should Diethyl diisobutylmalonate (CAS: 81749-14-6) be stored?

Diethyl diisobutylmalonate (CAS: 81749-14-6) should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should be maintained between 0°C and 25°C to preserve its stability.