Diethyl malonate

Basic Information

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CAS Number

105-53-3

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

Melting Point

−51-−50 °C

Boiling Point

199 °C

Water Solubility

Miscible with ethyl alcohol, ether, chloroform and benzene. Slightly miscible with water.

Solubility

20.8g/l (External MSDS)

Refractive Index

n20/D 1.413(lit.)

Vapor Pressure

1 mmHg ( 40 °C)

SMILES

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CCOC(=O)CC(=O)OCC

InChI

InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3

InChIKey

IYXGSMUGOJNHAZ-UHFFFAOYSA-N

LogP

0.5027

pKa

13.5(at 25℃)

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

125

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H316 Causes mild skin irritation
Skin corrosion/irritation

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Stability

Stable. Combustible. Incompatible with strong oxidizing agents,

Sensitiveness

Sensitive to humidity

Explosive Limit

0.8-12.8%(V)

Synonyms & References

English

Diethyl malonate
CARBETHOXYACETIC ESTER
DEM
DICARBETHOXYMETHANE
DIETHYL PROPANEDIOATE
ETHYL MALONATE
Ethyl propanedioate
FEMA 2375
MALONIC ACID DIETHYL ESTER
MALONIC ESTER
METHYLMALONIC ACID DIETHYL ESTER
methyl-propanedioic acid diethyl ester
Diethyl1,3-propanedioate
Methanedicarboxylic acid, diethyl ester
Propanedioicacid,diethylester
Diethyl malonat
Malonic Acid Diethyl Ester (DEM)
1,3-Diethyl propanedioate
DEM,Diethyl malonate
Diethyi malonate
AKOS BBS-00004262
Propanedioic acid, diethyl ester
Malonic acid, diethyl ester
Ethyl malonate (VAN)
Ethyl methanedicarboxylate
Propanedioic acid, 1,3-diethyl ester
Malonic acid diethyl
propanedioic acid diethyl ester
FEMA No. 2375
diethyl propan
Ethyl Malonate

MDL Number

MFCD00009195

Customs Code

2917190090

FAQ

What is Diethyl malonate (CAS: 105-53-3)?

Diethyl malonate is a colorless liquid with the chemical formula C5H10O3. It is widely used in organic synthesis as a versatile building block, known for its reactivity in forming substituted malonic acid derivatives. Its molecular structure features a malonic ester group, making it essential in the synthesis of various pharmaceuticals and organic compounds.

What are the main uses of Diethyl malonate (CAS: 105-53-3)?

Diethyl malonate is primarily used in the pharmaceutical industry to synthesize drugs, including antifungals and antihistamines. It also serves as a flavoring agent in food products and is employed in polymer production and research for creating complex organic molecules. Its applications span across chemical research, industrial manufacturing, and food science.

Is Diethyl malonate (CAS: 105-53-3) safe?

Diethyl malonate is classified as moderately toxic and requires careful handling. It should be used in well-ventilated areas with protective gloves, goggles, and lab coats. Safety standards such as GHS and OSHA emphasize avoiding skin and eye contact, while proper disposal is crucial. Always follow established protocols for its use and storage to ensure safety.

How should Diethyl malonate (CAS: 105-53-3) be stored?

Diethyl malonate should be stored in a cool, dry place (0-25°C), away from light and moisture. Use tightly sealed, inert containers such as glass or polyethylene to maintain stability. Avoid exposure to high temperatures and incompatible materials. Store in a well-ventilated area to prevent vapor accumulation and ensure long-term safety.