Diethyl fumarate

Basic Information

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CAS Number

623-91-6

Molecular Formula

C8H12O4

Molecular Weight

172.18 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

2°C

Boiling Point

219°C

Density

1.052 g/mL at 25 °C

Solubility

3.1g/l

Refractive Index

n20/D 1.44(lit.)

SMILES

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

InChI

InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3

InChIKey

IEPRKVQEAMIZSS-UHFFFAOYSA-N

LogP

0.6688

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

164

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents.

Synonyms & References

English

Diethyl fumarate
Diethyl fumarate, (Fumaric acid diethyl ester)
Fumaric acid diethyl ester
trans-2-Butenedioic acid diethyl ester~Fumaric acid diethyl ester
2-Butenedioic acid(2E)-, 1,4-diethyl ester
2-Butenedioic acid (2E)-, diethyl ester
2-Butenedioic acid (E)-, diethyl ester
2-Butenedioic acid, diethyl ester, (E)-
Anti-Psoriaticum
Diethyl (2E)-2-butenedioate
Diethyl ester of (E)-2-Butenedioic acid
Diethylester kyseliny fumarove
Ethyl fumarate
NSC 20954
(E)-2-Butenedioic acid diethyl ester
Fumaric acid, diethyl ester
diethyl (2E)-but-2-enedioate
diethyl (E)-but-2-enedioate
trans-2-Butenedioic acid diethyl ester
(E)-but-2-enedioic acid diethyl ester
Diethyl fumarate, 98%
1,4-diethyl (2E)-but-2-enedioate
Diethylest
Fumaric Acid Diethyl Ester

MDL Number

MFCD00009191

Customs Code

29171990

FAQ

What is Diethyl fumarate (CAS: 623-91-6)?

Diethyl fumarate is an organic compound with the chemical formula C8H12O4. It is a colorless liquid with a faint odor and is commonly used as a crosslinking agent. Diethyl fumarate has a high reactivity due to its conjugated double bond and is known for its ability to form polymers and resins. It is also used in the synthesis of other organic compounds.

What are the main uses of Diethyl fumarate (CAS: 623-91-6)?

Diethyl fumarate is widely used in the pharmaceutical industry for the production of drugs and as a precursor in organic synthesis. It finds applications in polymer science for creating coatings and resins. Additionally, it is used in the food industry as a stabilizer and in research for developing new materials and chemical compounds.

Is Diethyl fumarate (CAS: 623-91-6) safe?

Diethyl fumarate is generally considered safe when handled properly, but it can be toxic if inhaled or ingested. Protective measures such as gloves, goggles, and proper ventilation are recommended. Safety standards require adherence to OSHA and EPA guidelines to ensure safe handling and disposal, minimizing exposure risks.

How should Diethyl fumarate (CAS: 623-91-6) be stored?

Diethyl fumarate should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container at a temperature below 25°C and humidity levels below 60%. Storage precautions include keeping it away from incompatible materials and ensuring it is not exposed to heat or direct sunlight to maintain stability.