2,2-Dimethylcyclohexanone

Basic Information

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CAS Number

1193-47-1

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

−20 °C

Boiling Point

169-170 °C/768 mmHg

Refractive Index

n20/D 1.448(lit.)

SMILES

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CC1(CCCCC1=O)C

InChI

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

InChIKey

KNSPBSQWRKKAPI-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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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

Cyclohexanone, 2,2-dimethyl-
NSC-20553
Z1238550479
Cyclohexanone,2-dimethyl-
Cyclohexanone,2,2-dimethyl-
CS-W008668
DTXSID30870859
J-004111
UNII-JP29SV6ZY9
GEO-04653
MFCD00134382
6,6-Dimethylcyclohexanone
NSC20553
EINECS 215-589-1
2,2-dimethyl-cyclohexan-1-one
2,2-dimethyl-cyclohexanone
Q63409312
2,2-Dimethyl cyclohexan-1-one
NS00045283
2,2-dimethylcyclohexan-1-one
Dimethylcyclohexanone
2,2-Dimethylcyclohexanone, 92%
BS-13175
NSC 20553
1333-44-4
2,2-Dimethylcyclohexanone
A935254
1193-47-1
AKOS005259349
SY031867
2,2-Dimethyl-1-cyclohexanone

MDL Number

MFCD00134382

Customs Code

2914299000

FAQ

What are the physical and chemical properties of 2,2-Dimethylcyclohexanone (CAS: 1193-47-1)?

2,2-Dimethylcyclohexanone (CAS: 1193-47-1) is a colorless liquid with a distinctive odor. It has a molecular weight of 122.21 g/mol and a boiling point of 185°C. The compound is moderately soluble in water but miscible with many organic solvents. It is chemically stable but can react with strong oxidizers.

How is 2,2-Dimethylcyclohexanone (CAS: 1193-47-1) typically synthesized?

2,2-Dimethylcyclohexanone is typically synthesized via the oxidation of 2,2-dimethylcyclohexanol with potassium permanganate or hydrogen peroxide. The reaction is highly selective, providing high yields of the desired product.

What industries use 2,2-Dimethylcyclohexanone (CAS: 1193-47-1)?

2,2-Dimethylcyclohexanone (CAS: 1193-47-1) is widely used in the pharmaceutical, polymer, and sensor industries. It serves as a precursor in the synthesis of various organic compounds and is also used as an intermediate in the production of certain pharmaceuticals.

What precautions should be taken when handling 2,2-Dimethylcyclohexanone (CAS: 1193-47-1)?

When handling 2,2-Dimethylcyclohexanone (CAS: 1193-47-1), it is essential to wear appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be contained and handled using appropriate chemicals, and safety data sheets (SDS) should be consulted for detailed guidelines.