Diethyl ethylmalonate

Basic Information

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CAS Number

133-13-1

Molecular Formula

C9H16O4

Molecular Weight

188.22 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

0°C

Boiling Point

211°C

Solubility

2.87g/l

Refractive Index

n20/D 1.416(lit.)

SMILES

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CCC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3

InChIKey

VQAZCUCWHIIFGE-UHFFFAOYSA-N

LogP

1.1388

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

159

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

NS00020469
J-520286
AI3-19481
CS-0075087
diethyl ethyl malonate
NSC-8706
Diethyl 2-ethylmalonate
Diethyl ethylpropanedioate
NSC8706
DTXSID7038739
F0001-0438
1,1-PROPANEDICARBOXYLIC ACID,DIETHYL ESTER (MALONIC ACID,ETHYL,DIETHYL ESTER)
diethyl 2-ethylpropanedioate
Ethyl diethylmalonate
UNII-69G92OYR3M
DIETHYLETHYLMALONATE
diethyl ethyl-malonate
Diethyl ethylmalonate, 99%
E0138
ethyl-propanedioic acid diethyl ester
DIETHYL ETHYLMALONATE
Malonic acid, ethyl-, diethyl ester
InChI=1/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H
DIETHYL .ALPHA.-ETHYLMALONATE
SY049365
SCHEMBL230068
EINECS 205-093-3
FT-0624783
diethyl-ethylmalonate
2-ethyl-malonic acid diethyl ester
ETHYLPROPANEDIOIC ACID DIETHYL ESTER

MDL Number

MFCD00009167

Customs Code

2917190090

FAQ

What is Diethyl ethylmalonate (CAS: 133-13-1)?

Diethyl ethylmalonate is a colorless liquid with a fruity odor. Its chemical formula is C8H14O4. It is used as a flavor and fragrance ingredient in the food and cosmetic industries, and also as a reagent in organic synthesis.

What are the main uses of Diethyl ethylmalonate (CAS: 133-13-1)?

Diethyl ethylmalonate is primarily used as a flavoring and fragrance compound in the food and cosmetic industries. It is also used as an intermediate in the synthesis of other organic compounds, particularly in pharmaceuticals and agrochemicals.

Is Diethyl ethylmalonate (CAS: 133-13-1) safe?

Diethyl ethylmalonate is generally considered safe for use in food and cosmetics when used according to the specifications. It is classified as a low-toxicity substance. Proper handling and storage are necessary to avoid inhalation or ingestion. Safety data sheets (SDS) should be consulted for detailed information on handling and safety precautions.

How should Diethyl ethylmalonate (CAS: 133-13-1) be stored?

Diethyl ethylmalonate should be stored in a cool, well-ventilated area, away from direct sunlight and sources of heat. The storage temperature should be below 30°C (86°F) to maintain stability. The container should be tightly sealed to prevent evaporation and contamination. Keep away from incompatible materials such as strong oxidizers and strong acids. Store in original packaging to protect from moisture and light exposure.