3,3-Dimethylcyclohexanone

Basic Information

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CAS Number

2979-19-3

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

9.25°C (estimate)

Boiling Point

175°C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.449(lit.)

SMILES

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CC1(CCCC(=O)C1)C

InChI

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

InChIKey

ZVJQBBYAVPAFLX-UHFFFAOYSA-N

LogP

2.1557000000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

125

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

ZVJQBBYAVPAFLX-UHFFFAOYSA-
GS-3690
CS-0010863
NS00005555
J-017641
HY-79034
3,3-Dimethylcyclohexanone
3,3-Dimethylcyclohexanone, 90%
EC 628-905-1
F14897
3,3-dimethyl-cyclohexan-1-one
3,3-Dimethyl-cyclohexanone
AM84905
InChI=1/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
BCP15134
SB12145
3,3-dimethylcyclohexan-1-one
3,3-Dimethylcyclohexane-1-one
AKOS015842162
SCHEMBL8749
2979-19-3
EN300-72418
DTXSID6062753
MFCD00040178
D3495
Cyclohexanone, 3,3-dimethyl-
FT-0634586
3,3-dimethylcyclohexanon
3,3-dimethylcylohexanone
Cyclohexanone,3,3-dimethyl
ZVJQBBYAVPAFLX-UHFFFAOYSA-N

MDL Number

MFCD00040178

Customs Code

2914299000

FAQ

What is 3,3-Dimethylcyclohexanone (CAS: 2979-19-3)?

3,3-Dimethylcyclohexanone, also known as 2,2-Dimethylcyclohexanone, is a colorless liquid with a characteristic odor. It has a molecular formula of C9H16O and a CAS number of 2979-19-3. It is widely used in the synthesis of various organic compounds and as a solvent in industry.

What are the main uses of 3,3-Dimethylcyclohexanone (CAS: 2979-19-3)?

3,3-Dimethylcyclohexanone (CAS: 2979-19-3) is primarily used as a solvent in the production of alkyd resins, as an intermediate in the synthesis of other organic compounds, and in the formulation of coatings and adhesives. It also finds applications in the pharmaceutical industry and as a reagent in chemical analysis.

Is 3,3-Dimethylcyclohexanone (CAS: 2979-19-3) safe?

3,3-Dimethylcyclohexanone (CAS: 2979-19-3) is generally considered safe when handled with appropriate precautions. It is important to avoid skin contact and inhalation of vapors. Proper ventilation and personal protective equipment (PPE) such as gloves and goggles should be used to minimize exposure. Storage in a cool, well-ventilated area is recommended.

How should 3,3-Dimethylcyclohexanone (CAS: 2979-19-3) be stored?

3,3-Dimethylcyclohexanone (CAS: 2979-19-3) should be stored in a cool, well-ventilated area, away from direct sunlight and heat sources. The container should be tightly sealed to prevent evaporation and ensure the integrity of the product. It is best to store it in a cool, dry place, preferably below 25°C, to maintain its quality and stability.