4-Isopropylcyclohexanol

Basic Information

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CAS Number

4621-04-9

Molecular Formula

C9H18O

Molecular Weight

142.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

36.9°C (estimate)

Boiling Point

110°C/22mmHg

Flash Point

95 °C

Refractive Index

gt. 1.4660 to 1.4700

SMILES

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CC(C)C1CCC(O)CC1

InChI

InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3

InChIKey

DKKRDMLKVSKFMJ-UHFFFAOYSA-N

LogP

2.1935000000000002

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

90.9

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

4-Isopropylcyclohexanol
Cyclohexanol, 4-(1-methylethyl)-
Isopropylcyclohexanol, p-
p-Isopropylcyclohexanol
4-(1-Methylethyl)cyclohexanol
APO PATCHONE
4-ISO-PROPYLCYCLOHEXANOL
4-ISPROPYLCYCLOHEXANOL
PARA ISOPROPYL CYCLOHEXANOL
TIMTEC-BB SBB008023
4-(1-methylethyl)-cyclohexano
4-(1-methylethyl)-Cyclohexanol
4-Isopropylcyclohexanol (cis- and trans- mixture)
p-isopropyl-cyclohexano
trans-4-Isopropylcyclohexanol
4-isopropylcyclohexanol
p-isopropylcyclohexanol
4-(propan-2-yl)cyclohexan-1-ol, Mixture of diastereomers

MDL Number

MFCD00043476

Customs Code

2906199090

FAQ

What are the physical and chemical properties of 4-Isopropylcyclohexanol (CAS: 4621-04-9)?

4-Isopropylcyclohexanol (CAS: 4621-04-9) is a colorless liquid with a mild, characteristic odor. Its molecular weight is approximately 134.23 g/mol. This compound has a slight solubility in water but is more soluble in organic solvents. It is less reactive compared to other alcohols, with limited potential for spontaneous combustion. The compound is stable under normal conditions but should be stored away from strong acids and bases.

How is 4-Isopropylcyclohexanol (CAS: 4621-04-9) typically synthesized?

4-Isopropylcyclohexanol (CAS: 4621-04-9) is typically synthesized via the reduction of 4-Isopropylcyclohexanone using a hydrogenation catalyst, such as palladium on carbon. The reaction is carried out in a solvent like ethanol or methanol under mild conditions. The process yields a high purity of the alcohol with good selectivity and high yield.

What industries use 4-Isopropylcyclohexanol (CAS: 4621-04-9)?

4-Isopropylcyclohexanol (CAS: 4621-04-9) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, as a solvent in polymer manufacturing, in the production of fragrances and flavors, and as a raw material in the production of semiconductors and electronic materials.

What precautions should be taken when handling 4-Isopropylcyclohexanol (CAS: 4621-04-9)?

Proper handling of 4-Isopropylcyclohexanol (CAS: 4621-04-9) involves the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. It should be stored in a well-ventilated area, and spillages should be handled according to the safety data sheet (SDS). Handling should be performed in a fume hood to minimize exposure. Always refer to the latest SDS for detailed safety information and guidelines.