4-(Diethoxymethyl)benzaldehyde

Basic Information

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CAS Number

81172-89-6

Molecular Formula

C12H16O3

Molecular Weight

208.26 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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

290.3±25.0 ºC (760 Torr),

Density

1.047 g/mL at 25 °C

Water Solubility

soluble in alcohol, chlorinated solvents and toluene. Decomposes in water.

Refractive Index

n20/D 1.506(lit.)

SMILES

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CCOC(OCC)c1ccc(C=O)cc1

InChI

InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3

InChIKey

HTMXMFARWHNJDW-UHFFFAOYSA-N

LogP

2.5707000000000004

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

168

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Air Sensitive

Synonyms & References

English

4-(Diethoxymethyl)benzaldehyde
Terephthalaldehyde Mono(diethyl Acetal)
Benzaldehyde,4-(diethoxymethyl)-
terephthalaldehyde diethyl acetal
Terephthaldehyde Monodiethylacetal
Terephthaldehyde diethyl monoacetal
Terephthaldehyde monodiethyl acetal
Benzaldehyde, 4-(diethoxymethyl)-
Terephthaldehyde mono(diethyl acetal)
HTMXMFARWHNJDW-UHFFFAOYSA-N
Terephthalaldehyde mono-(diethyl acetal)
AK112871
Terephthaldehyde monodiethylacetal, 97%, stabilized
PubChem22621
4-diethoxymethylbenzaldehyde
4-diethoxymethyl-benzaldehyde
4-(diethoxymethy)benzaldehyde
4-(diethyoxymethyl)benzaldehyde

MDL Number

MFCD00010217

FAQ

What are the physical and chemical properties of 4-(Diethoxymethyl)benzaldehyde (CAS: 81172-89-6)?

4-(Diethoxymethyl)benzaldehyde is a crystalline solid with a molecular weight of approximately 216.26 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly with nucleophiles, and can undergo substitution reactions. It has a melting point of around 58-59°C and a boiling point of approximately 168-169°C. It is a chromophoric compound and exhibits a yellow color in solution.

How is 4-(Diethoxymethyl)benzaldehyde (CAS: 81172-89-6) typically synthesized?

4-(Diethoxymethyl)benzaldehyde can be synthesized through the reaction of benzaldehyde with diethyl carbonate in the presence of a base like potassium carbonate. This method provides good yield and selectivity. Another approach involves the Wittig reaction using ethyl methoxyphosphonate and triphenylphosphine. The chosen method depends on the desired purity and the scale of the synthesis.

What industries use 4-(Diethoxymethyl)benzaldehyde (CAS: 81172-89-6)?

4-(Diethoxymethyl)benzaldehyde is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry for the modification of polymers to improve their properties. Additionally, it has applications in the production of sensors and semiconductor materials where its chromophoric properties are utilized.

What precautions should be taken when handling 4-(Diethoxymethyl)benzaldehyde (CAS: 81172-89-6)?

When handling 4-(Diethoxymethyl)benzaldehyde, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled by using suitable absorbents and following the safety data sheet (SDS) guidelines. The compound should be stored in a cool, dry place away from sources of heat and ignition. Proper disposal methods should be followed to ensure environmental safety.