trans-4-(2-Methyl-2-propanyl)cyclohexanol

Basic Information

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CAS Number

21862-63-5

Molecular Formula

C10H20O

Molecular Weight

156.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

77.0 to 81.0 deg-C

Boiling Point

230.54°C (estimate)

Refractive Index

1.4583 (estimate)

SMILES

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O[C@H]1CC[C@H](C(C)(C)C)CC1

InChI

InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3/t8-,9-

InChIKey

CCOQPGVQAWPUPE-KYZUINATSA-N

LogP

2.5836000000000006

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

115

Synonyms & References

English

trans-4-(tert-Butyl)cyclohexanol
(E)-4-tert-Butylcyclohexanol
trans-4-tert-Butylcyclohexanol
Cyclohexanol,4-(1,1-dimethylethyl)-, trans-
4-tert-Butylcyclohexanol
cis-4-tert-Butylcyclohexanol
4-(tert-Butyl)cyclohexanol
cis-4-(tert-Butyl)cyclohexanol
Cyclohexanol, 4-(1,1-dimethylethyl)-
4-tert-butylcyclohexan-1-ol
Padaryl
p-tert-Butylcyclohexanol
CYCLOHEXANOL, 4-tert-BUTYL-
Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-
Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-
4-t-Butylcyclohexanol
4-tert-Butyl cyclohexanol
Cyclohe

MDL Number

MFCD00064952

FAQ

What are the physical and chemical properties of trans-4-(2-Methyl-2-propanyl)cyclohexanol (CAS: 21862-63-5)?

trans-4-(2-Methyl-2-propanyl)cyclohexanol is a colorless to light yellow liquid with a molecular weight of approximately 154.26 g/mol. It has a high boiling point of around 220°C and a low solubility in water (less than 1 g/L). This compound is moderately reactive, particularly towards bases and oxidizing agents. It is often used in organic synthesis and as a precursor in various chemical processes.

How is trans-4-(2-Methyl-2-propanyl)cyclohexanol (CAS: 21862-63-5) typically synthesized?

trans-4-(2-Methyl-2-propanyl)cyclohexanol is typically synthesized through a Wittig reaction or a modified Robinson annulation. The Wittig reaction involves the reaction of phenylphosphonium bromide with cyclohexanone in the presence of a Lewis acid catalyst. The modified Robinson annulation involves the condensation of cyclohexanone with 2-methyl-2-propanol followed by base catalyzed cyclization.

What industries use trans-4-(2-Methyl-2-propanyl)cyclohexanol (CAS: 21862-63-5)?

trans-4-(2-Methyl-2-propanyl)cyclohexanol is used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry, particularly in the modification of polymers to enhance their mechanical properties. Additionally, it is employed in the sensor and semiconductor industries for various applications, including the production of gas sensors and electronic devices.

What precautions should be taken when handling trans-4-(2-Methyl-2-propanyl)cyclohexanol (CAS: 21862-63-5)?

When handling trans-4-(2-Methyl-2-propanyl)cyclohexanol, it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.