alpha-Ethylacrolein

Basic Information

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CAS Number

922-63-4

Molecular Formula

C5H8O

Molecular Weight

84.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

-101.15°C (estimate)

Boiling Point

92-93 ºC

Density

0.859

Water Solubility

Soluble in alcohol. Insoluble in water.

Flash Point

1 ºC

Refractive Index

1.425

SMILES

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CCC(=C)C=O

InChI

InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3

InChIKey

GMLDCZYTIPCVMO-UHFFFAOYSA-N

LogP

1.1515

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

64.3

Safety Information

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Hazard Class

Class 3 Class 3

Sensitiveness

Air Sensitive

Synonyms & References

English

2-Methylenebutanal
2-Ethylacrolein
2-methylidenebutanal
2-Ethylacrylaldehyde
2-Ethylpropenal
2-Methylenebutyraldehyde
2-Methylenebutanal (ACI)
Butyraldehyde, 2-methylene- (6CI, 7CI, 8CI)
2-Ethyl-2-propenal
2-Formyl-1-butene
2-Methylidenebutanal
Ethacrolein
Ethylacrolein
α-Ethylacrolein
α-Ethylacrylaldehyde
alpha-Ethylacrolein
2Ethylpropenal
2-ethyl-acrolein
Butyraldehyde, 2methylene
DTXSID1029205
Butanal, 2-methylene-(9CI)
NS00039446
EINECS 213-079-3
CCRIS 4932
Butyraldehyde, 2-methylene-
AS-56680
alphaEthylacrolein
A810426
alpha-Ethylacrylaldehyde
2-ethyl-2-propenal
4-01-00-03463 (Beilstein Handbook Reference)

MDL Number

MFCD00010129

Customs Code

2912190090

FAQ

What are the physical and chemical properties of alpha-Ethylacrolein (CAS: 922-63-4)?

Alpha-Ethylacrolein (CAS: 922-63-4) is a colorless to light yellowish-green liquid with a strong, pungent odor. It has a molecular weight of 110.12 g/mol and a boiling point of 85-87°C. The compound is slightly soluble in water but highly soluble in ethanol and acetone. It is known for its reactivity, particularly towards nucleophiles and electrophiles, making it useful in various chemical reactions.

How is alpha-Ethylacrolein (CAS: 922-63-4) typically synthesized?

Alpha-Ethylacrolein (CAS: 922-63-4) is typically synthesized via the reaction of acrolein with ethyl bromide in the presence of a base such as sodium hydroxide. The reaction is conducted in a solvent like dimethylformamide (DMF) or dimethyl sulfoxide (DMSO) to enhance the nucleophilic attack and yield. The process is carried out with high selectivity and good yield under mild conditions.

What industries use alpha-Ethylacrolein (CAS: 922-63-4)?

Alpha-Ethylacrolein (CAS: 922-63-4) finds applications in various industries. It is used in the production of fragrances and flavors due to its distinctive odor. In the pharmaceutical industry, it serves as a precursor for the synthesis of certain drugs. Additionally, it is utilized in the development of chiral catalysts and as a monomer in the synthesis of polymers. Its reactivity also makes it suitable for use in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling alpha-Ethylacrolein (CAS: 922-63-4)?

When handling alpha-Ethylacrolein (CAS: 922-63-4), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using inert materials to avoid reaction hazards. Safety data sheets (SDS) should be consulted for detailed information on handling, storage, and disposal. Proper ventilation is essential to prevent inhalation of the compound's fumes.