3-[4-(2-Methyl-2-propanyl)phenyl]propanal

Basic Information

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CAS Number

18127-01-0

Molecular Formula

C13H18O

Molecular Weight

190.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

265.8°C (rough estimate)

Refractive Index

1.5100

SMILES

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CC(C)(C)c1ccc(CCC=O)cc1

InChI

InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3

InChIKey

FZJUFJKVIYFBSY-UHFFFAOYSA-N

LogP

3.1156000000000024

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

170

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

3-(4-(tert-Butyl)phenyl)propanal
BOURGEONAL
3-(4-tert-Butylphenyl)propanal
3-(4-tert-Butyl-phenyl)propionaldehyde
EINECS 242-016-2
para-tert-butylhydrocinnamaldehyde
p-tert-Butyldihydrocinnamaldehyde
p-tert-Butylhydrocinnamic aldehyde
4-(1,1-dimethylethyl)benzenepropanal
3-(4-tert-Butylphenyl)propionaldehyde
3-(4-tert-butylphenyl)propanal

MDL Number

MFCD00169819

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0)?

3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0) is a clear to pale yellow liquid with a molecular weight of approximately 212.3 g/mol. It has a melting point of around -35°C to -25°C and a boiling point of about 176°C. This compound is slightly soluble in water but more soluble in organic solvents. It is reactive, particularly towards nucleophiles and under acidic conditions. Understanding these properties is crucial for its proper use in various applications.

How is 3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0) typically synthesized?

3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0) can be synthesized via a Wittig reaction or a Friedel-Crafts acylation. Commonly, this involves the use of phenylacetonitrile and methyl vinyl ketone with a phosphonium salt or a Grignard reagent, respectively. The synthesized compound is then purified to achieve high yield and selectivity. These methods allow for the production of this key intermediate in chemical synthesis.

What industries use 3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0)?

3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0) is used in the pharmaceutical industry for the synthesis of complex molecules, in polymer science for the production of functional polymers, and in the sensor industry for developing chemical sensors. In semiconductor manufacturing, it also serves as a precursor in certain processes. Its versatile reactivity makes it a valuable compound in these and other advanced chemical applications.

What precautions should be taken when handling 3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0)?

When handling 3-[4-(2-Methyl-2-propanyl)phenyl]propanal (CAS: 18127-01-0), use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and heat sources. If a spill occurs, immediately contain and dispose of it according to the Material Safety Data Sheet (MSDS) guidelines. Always ensure adequate ventilation and use a fume hood during handling to prevent inhalation of vapors. This compound is reactive and can pose risks if not handled properly.