Dimethyl ethylmalonate

Basic Information

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CAS Number

26717-67-9

Molecular Formula

C7H12O4

Molecular Weight

160.17 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

Boiling Point

188-190 °C

Refractive Index

n20/D 1.418

SMILES

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CCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3

InChIKey

XGRMVENQJLQMLT-UHFFFAOYSA-N

LogP

0.35860000000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

137

Synonyms & References

English

CS-0204711
AB10374
AKOS006230754
26717-67-9
5WVV6D2TKP
Dimethyl ethylmalonate, >=97.0%
Malonic acid, ethyl-, dimethyl ester
2-ethyl-propanedioic acid dimethyl ester
BS-48952
NS00028160
DTXSID70181214
SCHEMBL2097237
1,3-dimethyl 2-ethylpropanedioate
J-016525
EINECS 247-914-8
dimethyl 2-ethylpropanedioate
Dimethyl 2-ethylmalonate #
Dimethyl 2-ethylmalonate
Dimethyl ethylmalonate
FT-0659550
EN300-213081
MFCD00042839
Propanedioic acid, ethyl-, dimethyl ester
Propanedioic acid, 2-ethyl-, 1,3-dimethyl ester
A818565
2-ethyl-propanedioicaciddimethylester
Dimethylethylpropanedioate
2-Ethyl-malonic acid dimethyl ester
Ethylmalonic acid dimethyl ester
Ethylpropanedioic acid dimethyl ester
2-ethyl dimethyl malonate

MDL Number

MFCD00042839

Customs Code

2917190090

FAQ

What are the physical and chemical properties of Dimethyl ethylmalonate (CAS: 26717-67-9)?

Dimethyl ethylmalonate (CAS: 26717-67-9) is a colorless liquid with a molecular weight of approximately 164.14 g/mol. It has a characteristic odor and is slightly soluble in water but miscible with most organic solvents. The compound is reactive towards nucleophiles and can undergo esterification and hydrolysis reactions. It crystallizes in the orthorhombic system, forming prismatic crystals.

How is Dimethyl ethylmalonate (CAS: 26717-67-9) typically synthesized?

Dimethyl ethylmalonate (CAS: 26717-67-9) is commonly synthesized via the esterification of ethylmalonic acid with dimethyl carbonate in the presence of a strong acid catalyst such as sulfuric acid. The reaction is performed at high temperatures to achieve high yields and selectivity, with the product being purified by distillation or recrystallization.

What industries use Dimethyl ethylmalonate (CAS: 26717-67-9)?

Dimethyl ethylmalonate (CAS: 26717-67-9) finds applications in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also used in the production of polymers, as a chemical intermediate, and in the development of sensors and semiconductors due to its reactivity and functional groups.

What precautions should be taken when handling Dimethyl ethylmalonate (CAS: 26717-67-9)?

Precautions for handling Dimethyl ethylmalonate (CAS: 26717-67-9) include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. It is essential to always refer to the Safety Data Sheet (SDS) for detailed handling and safety guidelines.