Ethyl (2E)-4-oxo-2-butenoate

Basic Information

View in Editor

CAS Number

2960-66-9

Molecular Formula

C6H8O3

Molecular Weight

128.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-9°C

Boiling Point

199.3℃ at 760 mmHg

Water Solubility

Slightly soluble in water(2.6 g/L at 25°C).

Flash Point

68°C

Refractive Index

1.4550

SMILES

View in Editor

CCOC(=O)C=CC=O

InChI

InChI=1S/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+

InChIKey

SDGAEBKMHIPSAC-ONEGZZNKSA-N

LogP

0.3046

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

126

Safety Information

View Safety Information

Hazard Class

Class 8 Class 8

Synonyms & References

English

F0001-0915
4038-33-9
AS-33222
BCP16342
ethyl (E)-4-oxo-2-butenoate
(E)-ethyl 3-formylacrylate
Ethyl 4-oxobut-2-enoate
Fumaraldehydic Acid Ethyl Ester
Ethyl trans-4-oxo-2-butenoate
EN300-2008947
SDGAEBKMHIPSAC-ONEGZZNKSA-N
ethyl (2e)-4-oxobut-2-enoate
AMY39019
J-017579
AKOS015950671
CS-W020184
2960-66-9
A854714
ethyl (2E)-4-oxo-2-butenoate
MFCD00236170
Ethyl 3-formylacrylate
ethyl-4-oxo-trans-2-butenoate
(2E)-4-Oxo-2-butenoic Acid Ethyl Ester
2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-
Ethyl (E)-4-oxobut-2-enoate
(E)-Ethyl 4-oxobut-2-enoate
(E)-4-oxo-but-2-enoic acid ethyl ester
(E)-Ethyl4-oxobut-2-enoate
SCHEMBL1138075
LS-13139
SCHEMBL1138071

MDL Number

MFCD00236170

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9)?

Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9) is a colorless liquid with a sharp, fruity odor. It has a molecular weight of approximately 120.15 g/mol. The compound is slightly soluble in water but more soluble in organic solvents. It is moderately reactive and can undergo ester hydrolysis and oxidation reactions. Care should be taken to store it in a cool, dry place away from moisture and strong oxidizing agents.

How is Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9) typically synthesized?

Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9) can be synthesized through a reaction of ethyl acetoacetate with acetyl chloride in the presence of a Lewis acid catalyst such as aluminum chloride. This reaction provides high yield and good selectivity, making it a common method for industrial synthesis of this compound.

What industries use Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9)?

Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of special plastics and in the sensor industry for designing gas-sensing materials. Additionally, it has applications in the semiconductor industry for etching processes.

What precautions should be taken when handling Ethyl (2E)-4-oxo-2-butenoate (CAS: 2960-66-9)?

When handling Ethyl (2E)-4-4-oxo-2-butenoate (CAS: 2960-66-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the area is well-ventilated and consider using a fume hood. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for detailed spill cleanup procedures. Store the compound in a cool, dry place away from sources of heat and strong oxidizers, and dispose of it according to local regulations.