Diethyl (2Z)-2-butenedioate

Basic Information

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CAS Number

141-05-9

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

−10 °C

Boiling Point

225 °C

Solubility

14mg/l

Refractive Index

n20/D 1.441(lit.)

Vapor Pressure

1 mmHg ( 14 °C)

SMILES

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CCOC(=O)/C=C\C(=O)OCC

InChI

InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-

InChIKey

IEPRKVQEAMIZSS-WAYWQWQTSA-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

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

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

Toxicity

LD50 orally in rats: 0.30 g/kg (Smyth)

Synonyms & References

English

Diethyl maleate
Ethyl maleate
Maleic acid diethyl ester
cis-Propenoic acid diethyl ester
Diethyl malcate
(2S)-2-hydroxybutanedioic acid diethylester
(S)-(-)-Aepfelsaeure-diethylester
(S)-(-)-diethyl 2-hydroxybutandioate
(S)-malic acid diethyl ester
1,4-diethyl (2Z)-but-2-enedioate
diethyl (S)-malate
Diethyl L-(-)-Malate
diethyl L-malic ester
L-(-)-Malic Acid Diethyl Ester
DEM
Staflex DEM
Diethylbutenedioate
Maleic acid diethyl
Diethyl-2-butenedioate
Diethyl Maleate 97%
DIETHYL MALEATE 96+%
Maleic acid, diethyl ester
2-Butenedioic acid (Z)-, diethyl ester
Diethylmaleate
diethyl (Z)-but-2-enedioate
diethyl (2Z)-but-2-enedioate
Diethylester kyseliny maleinove
Diethyl maleate, 97%
Diethylester kyseliny maleinove [Czech]
G81WQB56OL
2-Butenedioic acid (2Z)-, diethyl ester

MDL Number

MFCD00009191

Customs Code

29171990

FAQ

What is Diethyl (2Z)-2-butenedioate (CAS: 141-05-9)?

Diethyl (2Z)-2-butenedioate, also known as Diethyl fumarate, is an organic compound with the chemical formula C8H12O4. It is a colorless liquid with a faint odor, characterized by its unsaturated diester structure and reactivity toward nucleophiles. CAS 141-05-9 identifies this compound as a key intermediate in various chemical processes.

What are the main uses of Diethyl (2Z)-2-butenedioate (CAS: 141-05-9)?

Diethyl fumarate (CAS 141-05-9) is primarily used in pharmaceuticals as a building block for drug synthesis, including antifungal and anti-inflammatory agents. It also serves in industrial applications such as polymer production and coatings, and in research for developing new materials. Its versatility makes it valuable in chemical manufacturing and organic chemistry.

Is Diethyl (2Z)-2-butenedioate (CAS: 141-05-9) safe?

Diethyl fumarate (CAS 141-05-9) is not classified as highly toxic but requires caution during handling. It may cause skin and eye irritation, so protective equipment like gloves and goggles is recommended. Safety standards emphasize avoiding inhalation and ingestion, and it should be used in well-ventilated areas. Always follow OSHA guidelines for chemical exposure.

How should Diethyl (2Z)-2-butenedioate (CAS: 141-05-9) be stored?

Diethyl fumarate (CAS 141-05-9) should be stored in a cool, dry, and dark place, ideally below 25°C. Keep it in a sealed, airtight container to prevent moisture and air exposure. Avoid storage near incompatible substances like strong bases. Maintain stable conditions to ensure longevity and safety compliance.