Diethyl methylmalonate

Basic Information

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CAS Number

609-08-5

Molecular Formula

C8H14O4

Molecular Weight

174.2 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

198-199 °C<br />78-80 °C/10 mmHg

Density

1.022 g/mL at 20 °C

Solubility

1000mg/l

Refractive Index

n20/D 1.413(lit.)

SMILES

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

InChI

InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

InChIKey

UPQZOUHVTJNGFK-UHFFFAOYSA-N

LogP

0.7487

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

146

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Diethyl methylmalonate
DIETHYL 2-METHYLPROPANEDIOATE
METHYLMALONIC ACID DIETHYL ESTER
RARECHEM AL BI 0301
2-methyl-malonicaciddiethylester
2-methyl-propanedioicaciddiethylester
Diethyl 2-methylmalonate
Diethylisosuccinate
dlethylmethylmalonate
Ethyl methylmalonate
Malonic acid, methyl-, diethyl ester
methyl-propanedioicacidiethylesterPropanedioic acid, 2-methyl-, diethyl ester
Methoxymalonic Acid Diethyl Ester
Methylmalonic acid diethyl ester~Methylpropanedioic acid diethyl ester
Diethyl methylpropanedioate
Methyl-propanedioic acid diethyl ester
Diethyl a-methylmalonate
1,3-Diethyl 2-methylpropanedioate
Methylmalonic acid diethyl ester
Methylmalonic Acid Diethyl Ester

MDL Number

MFCD00009162

Customs Code

2917190090

FAQ

What is Diethyl methylmalonate (CAS: 609-08-5)?

Diethyl methylmalonate is an organic compound with the chemical formula C8H16O4. It is a methylmalonic acid derivative commonly used in chemical synthesis. This compound is characterized by its ester functionality and is typically a colorless liquid with a mild odor. It is soluble in organic solvents and has moderate stability under standard conditions.

What are the main uses of Diethyl methylmalonate (CAS: 609-08-5)?

Diethyl methylmalonate is widely used in pharmaceutical and chemical research for synthesizing various compounds, including pharmaceutical intermediates. It also finds applications in the production of fine chemicals and as a reagent in organic synthesis. Additionally, it is used in the fragrance and flavor industry due to its pleasant aroma and solubility properties.

Is Diethyl methylmalonate (CAS: 609-08-5) safe?

Diethyl methylmalonate is generally considered safe when handled properly. However, it should be treated with care as it may cause skin and eye irritation. Protective equipment such as gloves, goggles, and a lab coat is recommended during handling. It is important to follow safety standards and ensure proper ventilation to minimize exposure risks.

How should Diethyl methylmalonate (CAS: 609-08-5) be stored?

Diethyl methylmalonate should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed, airtight container made of materials compatible with organic solvents. Storage at a temperature below 25°C and low humidity is recommended to maintain stability and prevent degradation.