4-Methylcyclohexanone

Basic Information

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CAS Number

589-92-4

Molecular Formula

C7H12O

Molecular Weight

112.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-41 ºC

Boiling Point

169-171 °C

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.4443(lit.)

SMILES

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CC1CCC(=O)CC1

InChI

InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

LogP

1.7656

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

86.6

Safety Information

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GHS Hazard Pictograms

H226

H302

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Synonyms & References

English

CHEBI:195392
NSC3816
Metylocykloheksanon
4-METHYLCYCLOHEXANONE
para-methylcyclohexanone
EN300-17913
Cyclohexanone, methyl-
Cyclohexanone, 4-methyl-
4-METHYL-CYCLOHEXANONE
methycyclohexanone
BRN 0506746
BCP26110
4-Methyl-1-cyclohexanone
4-Methylcyclohexanone, 99%
4-methylcyclohexane-1-one
F0001-1540
Tetrahydro-p-cresol
4-Methylcyclohexanone, >=99%
4-methyl-cyclohexan-1-one
589-92-4
FT-0619075
Q22138343
MFCD00001643
UNII-0L1R78K79S
Cyclohexanone, 4-methyl-;4-Methyl-1-cyclohexanone
4-Methyl-1-oxocyclohexane
Methylcyclohexanone [UN2297] [Flammable liquid]
EINECS 215-556-1
CYCLOHEXANONE,4-METHYL
Methyl-4 cyclohexanone-1
NSC 3816

MDL Number

MFCD00001643

Customs Code

29142200

FAQ

What is 4-Methylcyclohexanone (CAS: 589-92-4)?

4-Methylcyclohexanone is a cyclic ketone with the chemical formula C7H12O. It is colorless and has a mild, aromatic odor. This compound is widely used in the chemical industry for its versatile applications.

What are the main uses of 4-Methylcyclohexanone (CAS: 589-92-4)?

4-Methylcyclohexanone is primarily used as a solvent in various industries, including pharmaceuticals, plastics, and coatings. It serves as a precursor in organic synthesis and is also used in the fragrance and flavor industries due to its pleasant aroma.

Is 4-Methylcyclohexanone (CAS: 589-92-4) safe?

4-Methylcyclohexanone is generally considered safe when handled properly. However, it is mildly toxic and can cause skin and eye irritation. It is important to follow safety guidelines, use appropriate personal protective equipment (PPE), and handle it in a well-ventilated area. Storage in a cool, dry place away from heat sources is recommended.

How should 4-Methylcyclohexanone (CAS: 589-92-4) be stored?

4-Methylcyclohexanone should be stored in a cool, dry place away from direct sunlight and heat sources. Store it in sealed, airtight containers to prevent vapor loss and contamination. Maintain a temperature below 32°C (90°F) and avoid exposure to moisture and other chemicals to ensure its stability. Adequate ventilation is essential during handling and storage to minimize the risk of fire or explosion.