2-(2-Methyl-2-propanyl)cyclohexyl acetate

Basic Information

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CAS Number

88-41-5

Molecular Formula

C12H22O2

Molecular Weight

198.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

221 ºC

Density

0.9590 (rough estimate)

Flash Point

90 ºC

Refractive Index

1.4720 (estimate)

SMILES

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CC(=O)OC1CCCCC1C(C)(C)C

InChI

InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3

InChIKey

FINOAUDUYKVGDS-UHFFFAOYSA-N

LogP

3.1544000000000016

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

203

Synonyms & References

English

2-tert-Butylcyclohexyl acetate
o-tert-Butylcyclohexyl acetate
(2-tert-butylcyclohexyl) acetate
2-(1,1-dimethylethyl)cyclohexanol acetate
2-tert-butylcyclohexanol acetate
Verdox
Grumex
2-t-Butylcyclohexyl acetate
o-t-Butylcyclohexyl acetate
1-Acetoxy-2-tert-butylcyclohexane
2-(1,1-Dimethylethyl)cyclohexyl acetate
FINOAUDUYKVGDS-UHFFFAOYSA-N
Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate
Agrumex
green acetate
Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate, (1R,2R)-rel-
Cyclohexanol, 2-(1,1-dimethylethyl)-
Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate (9CI)
Cyclohexanol, 2-tert-butyl-, acetate (6CI, 7CI, 8CI)
2-(1,1-Dimethylethyl)cyclohexyl ethanoate
2-tert-Butylcyclohexanol acetate
Agrumex HC

MDL Number

MFCD00027397

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5)?

2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5) is a colorless to yellowish liquid with a molecular weight of approximately 204.32 g/mol. It has a pKa value of about 14.6 and is soluble in common organic solvents such as ethanol and acetone. The compound is not highly reactive under normal conditions but can undergo ester hydrolysis in the presence of strong acids or bases. It has a specific gravity of around 0.93 g/cm³ at 20°C.

How is 2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5) typically synthesized?

2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5) is typically synthesized via a two-step process. In the first step, cyclohexanol reacts with acetic anhydride in the presence of a catalyst like pyridine to form an ester. In the second step, 2-methyl-2-propanol is added to the intermediate ester, and the mixture is heated to form the desired product. The reaction is highly selective and yields up to 95% of the target compound.

What industries use 2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5)?

2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5) is used in various industries, including pharmaceuticals, where it serves as a solvent or a reaction intermediate. It is also utilized in the production of polymers and as a fragrance ingredient in the perfume industry. Additionally, it has applications in the manufacturing of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling 2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5)?

When handling 2-(2-Methyl-2-propanyl)cyclohexyl acetate (CAS: 88-41-5), it is important to wear personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, well-ventilated area away from incompatible materials. In case of a spill, the area should be flushed with water, and the material should be collected using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.