4-Isopropenyl-1-cyclohexene-1-carbaldehyde

Basic Information

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CAS Number

2111-75-3

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Boiling Point

104-105 °C10 mm Hg

Flash Point

204 °F

Refractive Index

n20/D 1.509

SMILES

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CC(=C)C1CCC(=CC1)C=O

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

InChIKey

RUMOYJJNUMEFDD-UHFFFAOYSA-N

LogP

2.4879000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

201

Safety Information

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Toxicity

LD50 in mice (g/kg): 1.72 orally; in guinea pigs (g/kg): >5 dermally (Food Chem. Toxicol.)

Synonyms & References

English

L-PERILLALDEHYDE
(-)-4-ISOPROPENYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE
1-4(1-METHYLETHENYL)-1-CYCLOHEXANE-1-CARBOXALDEHYDE
L(-)-PERILLALDEHYDE
FEMA 3557
(S)-4-ISOPROPENYL-CYCLOHEX-1-ENECARBALDEHYDE
(S)-P-MENTHA-1,8-DIEN-7-AL
(-)-PERILLALDEHYDE
1-Cyclohexene-1-carboxaldehyde,4-(1-methylethenyl)-
PERILLALDEHYDE(SG)
(+/-)-1,8-p-menthadien-7-al
(-)-PERILLAALDEHYDE
(4-(prop-1-en-2-yl)cyclohex-1-enyl)carbaldehyde
(4S)-perillaldehyde
(R)-l-Perillaldehyde
(S)-PERILLALDEHYDE
4-(1-methylethenyl)-1-cyclohexene-1-carboxaldehyde
4-isopropenyl-1-cyclohexene-1-carboxaldehyde
l-Perilla aldehyde
Perillal
Perillaldehyde
PERILLALDEHYDE(L-)
PERILLICALDEHYDE
4-isopropenyl-1-cyclohexene-1-carboxaldehyd
4-(1-methylethenyl)-1-cyclohexene-1-carboxaldehyd
dihydrocuminyl aldehyde
para-mentha-1,8-dien-7-al
perilla aldehyde
perillyl aldehyde
4-Isopropenylcyclohex-1-enecarbaldehyde

MDL Number

MFCD00062990

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 4-Isopropenyl-1-cyclohexene-1-carbaldehyde (CAS: 2111-75-3)?

4-Isopropenyl-1-cyclohexene-1-carbaldehyde is a colorless liquid with a molecular weight of approximately 156.24 g/mol. It has a strong fruity odor and a slight viscosity. The compound is soluble in common organic solvents like ethanol and acetone. It shows reactivity towards hydrogenation and electrophilic reactions. It also exhibits some basic properties and can react with acids to form salts.

How is 4-Isopropenyl-1-cyclohexene-1-carbaldehyde (CAS: 2111-75-3) typically synthesized?

4-Isopropenyl-1-cyclohexene-1-carbaldehyde is typically synthesized via the reaction of 4-isopropenylcyclohexanone with a strong base like sodium hydride and subsequent dehydration under vacuum. The process requires careful control of temperature and pressure to achieve high yield and selectivity. Common catalysts used in related reactions include aluminum chloride or other Lewis acids.

What industries use 4-Isopropenyl-1-cyclohexene-1-carbaldehyde (CAS: 2111-75-3)?

4-Isopropenyl-1-cyclohexene-1-carbaldehyde is utilized in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also used in the polymer industry as a monomer or齐聚物原料, in the production of sensors and semiconductors for its aromatic structure and reactive properties. Additionally, it has applications in fragrance and flavor production due to its characteristic odor.

What precautions should be taken when handling 4-Isopropenyl-1-cyclohexene-1-carbaldehyde (CAS: 2111-75-3)?

Proper handling of 4-Isopropenyl-1-cyclohexene-1-carbaldehyde requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. Spills should be handled in a fume hood with care, and appropriate chemical spill clean-up procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed precautions and emergency procedures.