Diethyl butylmalonate

Basic Information

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CAS Number

133-08-4

Molecular Formula

C11H20O4

Molecular Weight

216.28 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

Melting Point

119

Boiling Point

240°C

Refractive Index

n20/D 1.422(lit.)

SMILES

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CCCCC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3

InChIKey

RPNFNBGRHCUORR-UHFFFAOYSA-N

LogP

1.919

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

183

Synonyms & References

English

BS-49200
NSC 4565
N-BUTYLMALONIC ACID DIETHYL ESTER [MI]
B0381
133-08-4
Q27275899
diethyl 2-n-butylmalonate
Malonic acid, butyl-, diethyl ester
n-Butylmalonic acid diethyl ester
FT-0624797
butyl-propanedioic acid diethyl ester
AI3-06356
Diethyl butylmalonate, 99%
SCHEMBL455720
FT-0666747
InChI=1/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H
A806551
HY-44178
Diethyl 2-butylmalonate
DIETHYL .ALPHA.-BUTYLMALONATE
Butylmalonic acid diethyl ester
diethyl-n-butylmalonate
Ethyl butylmalonate
1,1-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (BUTYL MALONATE,DIETHYL ESTER)
EINECS 205-089-1
CYY2Q744WB
diethyl n-butyl-malonate
pentane-1,1-dicarboxylic acid
NS00024262
Propanedioic acid, 2-butyl-, 1,3-diethyl ester
2-ethyl-2-hexyl-propanedioate

MDL Number

MFCD00009170

Customs Code

2917190090

FAQ

What is Diethyl butylmalonate (CAS: 133-08-4)?

Diethyl butylmalonate is an organic compound with the chemical formula C8H14O4. It is a colorless liquid with a fruity aroma. It is primarily used as a flavoring agent and solvent in the food and perfume industries. The compound is also employed as a chemical intermediate in the synthesis of various pharmaceuticals and agrochemicals.

What are the main uses of Diethyl butylmalonate (CAS: 133-08-4)?

Diethyl butylmalonate is widely used as a flavoring agent in the food and perfume industries due to its fruity aroma. It is also utilized as a chemical intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, it serves as a solvent in various applications.

Is Diethyl butylmalonate (CAS: 133-08-4) safe?

Diethyl butylmalonate is generally considered safe for its intended uses. However, it should be handled with care due to its flammability. It is important to follow safety guidelines, including proper ventilation and avoiding contact with eyes and skin. Storage and use should comply with local regulations and safety standards.

How should Diethyl butylmalonate (CAS: 133-08-4) be stored?

Diethyl butylmalonate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and the humidity level should be controlled to avoid degradation. It is crucial to maintain proper labeling and handling practices to ensure safety.