4-(2-Methyl-2-propanyl)benzaldehyde

Basic Information

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CAS Number

939-97-9

Molecular Formula

C11H14O

Molecular Weight

162.23 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

246°C

Density

0.97 g/mL at 25 °C

Water Solubility

Soluble in water.

Refractive Index

n20/D 1.53(lit.)

SMILES

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

InChI

InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

InChIKey

OTXINXDGSUFPNU-UHFFFAOYSA-N

LogP

2.7966000000000015

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

147

Safety Information

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GHS Hazard Pictograms

H302

H334

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Sensitiveness

Air & Light Sensitive

Explosive Limit

1.3-5.6%(V)

Synonyms & References

English

p-Tertbutyl Benzaldehyde
4-TERT-BUTYLBENZALDEHYDE
P-TERT-BUTYL BENZALDEHYDE
TIMTEC-BB SBB008564
4-(1,1-dimethylethyl)-benzaldehyd
4-(1,1-dimethylethyl)-Benzaldehyde
benzaldehyde,-(1,1-dimethylethyl)-
p-tert-butylbenzaldehyde(p-tbb)
4-t-BUTYL BENZALDEHYDE
P-TERTIARY-BUTYL BENZALDEHYDE
para TertiaryButyl Benzaldehyde
PARA-TERTBUTYLBENZALDEHYDE
p-tert.Butylbenzaldehyd
p-t-Butylbenzaldehyde
tert-butylbenzaldehyde
Benzaldehyde,p-tert-butyl- (6CI,7CI,8CI)
4-(1,1-Dimethylethyl)benzaldehyde
para-tert-Butylbenzaldehyde
p-tert-Butylbenzaldehyde
4-(tert-Butyl)benzaldehyde
Benzaldehyde, 4-(1,1-dimethylethyl)-
4-t-butylbenzaldehyde
4-Tert-ButYl-Benzaldehyde
QXF0QY8503
OTXINXDGSUFPNU-UHFFFAOYSA-N
4-Tert-Butyl Benzaldehyde
Benzaldehyde, p-tert-butyl-
4-tertbutylbenzaldehyde
4-t-butyl-benzaldehyde
p-tert.butylbenzaldehyde
4-(t-buty

MDL Number

MFCD00035742

Customs Code

2912299000

FAQ

What is 4-(2-Methyl-2-propanyl)benzaldehyde (CAS: 939-97-9)?

4-(2-Methyl-2-propanyl)benzaldehyde, also known as 4-(tert-butyl)benzaldehyde, is an organic compound with the chemical formula C11H14O. It is a colorless to pale yellow liquid with a mild aromatic odor. This compound is characterized by its aldehyde functionality and a tert-butyl group attached to a benzene ring, making it useful in various chemical applications. It is commonly used as an intermediate in organic synthesis.

What are the main uses of 4-(2-Methyl-2-propanyl)benzaldehyde (CAS: 939-97-9)?

4-(2-Methyl-2-propanyl)benzaldehyde is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it is used in organic synthesis for creating more complex molecules and in the production of dyes and coatings. Its versatility makes it valuable in both industrial and research settings.

Is 4-(2-Methyl-2-propanyl)benzaldehyde (CAS: 939-97-9) safe?

4-(2-Methyl-2-propanyl)benzaldehyde is considered hazardous and requires proper handling. It may cause skin and eye irritation, and prolonged exposure can lead to respiratory issues. Safety standards recommend using personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area and stored away from incompatible substances to ensure safety during use and storage.

How should 4-(2-Methyl-2-propanyl)benzaldehyde (CAS: 939-97-9) be stored?

4-(2-Methyl-2-propanyl)benzaldehyde should be stored in a tightly sealed container, away from moisture, heat, and direct light. It is best kept at a temperature below 25°C and in a cool, dry place. Storage in a well-ventilated area is recommended to prevent the accumulation of vapors. Always store it in a dedicated chemical storage cabinet to ensure stability and safety.