4-(2-Methyl-2-propanyl)cyclohexanone

Basic Information

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CAS Number

98-53-3

Molecular Formula

C10H18O

Molecular Weight

154.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

48.0 to 51.0 deg-C

Boiling Point

116°C/20mmHg

Density

0.893

Water Solubility

Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water.

Refractive Index

1.4570 (estimate)

SMILES

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

InChI

InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3

InChIKey

YKFKEYKJGVSEIX-UHFFFAOYSA-N

LogP

2.791800000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

143

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-(tert-Butyl)cyclohexanone
Butylcyclohexanone
4-tert-Butylcyclohexanone
4-tert-butylcyclohexan-1-one
Cyclohexanone, 4-(1,1-dimethylethyl)-
Cyclohexanone,4-tert-butyl- (6CI,8CI)
4-(1,1-Dimethylethyl)cyclohexanone
C 64
NSC 73717
p-tert-Butylcyclohexanone
g-tert-Butylcyclohexanone

MDL Number

MFCD00001642

Customs Code

2914299000

FAQ

What is 4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3)?

4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) is a ketone compound characterized by a cyclohexane ring with a ketone group and a branched alkyl substituent. It is commonly used as an intermediate in organic synthesis. Its chemical formula is C10H18O, and it is typically a colorless liquid with a mild odor.

What are the main uses of 4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3)?

4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) is widely used in the pharmaceutical industry for the synthesis of various drugs. It also serves as a key intermediate in the production of fragrances and flavoring agents. In research, it is used for developing new chemical compounds and testing reactions. Its versatility makes it valuable in multiple industrial applications.

Is 4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) safe?

4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) is considered hazardous and requires proper handling. It has potential toxicity and should be used with appropriate protective equipment. Safety standards recommend working in well-ventilated areas and avoiding direct contact with skin or inhalation. Always follow OSHA and EPA guidelines for safe use.

How should 4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) be stored?

4-(2-Methyl-2-propanyl)cyclohexanone (CAS: 98-53-3) should be stored in a cool, dry, and well-ventilated area, away from heat and light. It is best kept in a sealed, airtight container to prevent evaporation and contamination. Storage conditions should maintain a temperature below 25°C and humidity levels under 60% to ensure stability and safety.