2,4-Dimethyl-3-cyclohexenecarboxaldehyde

Basic Information

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CAS Number

68039-49-6

Molecular Formula

C9H14O

Molecular Weight

138.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Boiling Point

196 ºC

Density

0.933

Flash Point

66 ºC

Refractive Index

1.473

SMILES

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CC1C=C(C)CCC1C=O

InChI

InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3

InChIKey

MZZRKEIUNOYYDF-UHFFFAOYSA-N

LogP

2.1776999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

158

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Ligustral
2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde
Acroval
Hivertal
Triplal
Vertocitral
2,4-Dimethyl-3-Cyclohexenecarboxaldehyde
2,4-dimethylcyclohex-3-ene-1-carbaldehyde
2,4-dimethylcyclohex-3-enecarbaldehyde

MDL Number

MFCD00169841

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS: 68039-49-6)?

2,4-Dimethyl-3-cyclohexenecarboxaldehyde has a crystalline form with a molecular weight of approximately 150.26 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive and can undergo condensation and oxidation reactions. It has a characteristic aldehyde odor.

How is 2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS: 68039-49-6) typically synthesized?

2,4-Dimethyl-3-cyclohexenecarboxaldehyde is typically synthesized via the aldol condensation of 2,4-dimethyl-3-cyclohexenone with formaldehyde. The reaction is catalyzed by a base such as sodium hydroxide, and the yield is around 70-80%. The selectivity for the desired product is high, making this a reliable synthesis method.

What industries use 2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS: 68039-49-6)?

2,4-Dimethyl-3-cyclohexenecarboxaldehyde is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of special plastics, and in the sensor industry for detecting specific chemical compounds. It also finds application in the semiconductor industry for organic thin-film transistors.

What precautions should be taken when handling 2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS: 68039-49-6)?

When handling 2,4-Dimethyl-3-cyclohexenecarboxaldehyde, it is crucial to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.