4,4-Dimethylcyclohexanone

Basic Information

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CAS Number

4255-62-3

Molecular Formula

C8H14O

Molecular Weight

126.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

42.0 to 46.0 deg-C

Boiling Point

73°C/14mmHg

Water Solubility

Insoluble in water.

Flash Point

50.1±10.7 ºC,

Refractive Index

1.46442 (22.45 ºC)

SMILES

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CC1(C)CCC(=O)CC1

InChI

InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3

InChIKey

PXQMSTLNSHMSJB-UHFFFAOYSA-N

LogP

2.1557000000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

113

Safety Information

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GHS Hazard Pictograms

H228

H319

Hazard Statement

H228 Flammable solid
Flammable solids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

4,4-Dimethylcyclohexanone
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate
BB_SC-5119
4 4-DIMETHYLCYCLOHEXANONE 97
Cyclohexanone, 4,4-dimethyl-
4,4-dimethylcyclohexan-1-one
4,4-Dimethyl-1-cyclohexanone
4,4-dimethyl-cyclohexan-1-one
4 4-dimethylcyclohexanone
4,4-dimethycyclohexanone
4.4-dimethylcyclohexanone
4,4-dimethyl-cyclohexanone
4,4-Dimethyl cyclohexanone
KSC494A0F
1,1-Dimethyl-4-oxocyclohexane
PXQMSTLNSHMSJB-UHFFFAOYSA-N
BCP07623
STL554759
BBL100965

MDL Number

MFCD00234965

Customs Code

2914299000

FAQ

What are the physical and chemical properties of 4,4-Dimethylcyclohexanone (CAS: 4255-62-3)?

4,4-Dimethylcyclohexanone (CAS: 4255-62-3) is a colorless liquid with a molecular weight of 132.21 g/mol. It has a high boiling point of 201°C and is slightly soluble in water. This compound is reactive towards bases and can undergo dehydration to form cyclohexanol. It is used as a solvent and in organic synthesis.

How is 4,4-Dimethylcyclohexanone (CAS: 4255-62-3) typically synthesized?

4,4-Dimethylcyclohexanone (CAS: 4255-62-3) is typically synthesized by the oxidation of 4,4-dimethylcyclohexanol with hydrogen peroxide in the presence of a suitable catalyst such as peroxyacetic acid. This method ensures high selectivity and yield.

What industries use 4,4-Dimethylcyclohexanone (CAS: 4255-62-3)?

4,4-Dimethylcyclohexanone (CAS: 4255-62-3) is used in the pharmaceutical industry as a precursor, in the polymer industry as a solvent, and in the sensor industry for its reactivity and stability. It is also used in the production of fragrances and as a component in organic synthesis.

What precautions should be taken when handling 4,4-Dimethylcyclohexanone (CAS: 4255-62-3)?

When handling 4,4-Dimethylcyclohexanone (CAS: 4255-62-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood to avoid inhalation. In case of a spill, avoid direct contact and clean up using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.