CAS 589-92-4

4-Methylcyclohexanone

Description:

4-Methylcyclohexanone, with the CAS number 589-92-4, is a cyclic ketone characterized by a six-membered carbon ring with a methyl group and a carbonyl group (C=O) attached to it. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It has a relatively low boiling point and moderate solubility in water, while being more soluble in organic solvents such as ethanol and ether. The presence of the methyl group influences its reactivity and physical properties, making it a useful intermediate in organic synthesis and industrial applications. 4-Methylcyclohexanone can participate in various chemical reactions, including nucleophilic additions and reductions, due to the electrophilic nature of the carbonyl carbon. It is important to handle this substance with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken during its use in laboratory or industrial settings.

Formula: C₇H₁₂O

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

InChI key: InChIKey=VGVHNLRUAMRIEW-UHFFFAOYSA-N

SMILES: CC1CCC(=O)CC1

Synonyms:

• 4-Methyl-1-cyclohexanone
• 4-Methylcyclohexanon
• 4-Methylcyclohexanone
• 4-Metilciclohexanona
• Nsc 3816
• Cyclohexanone, 4-methyl-

4-Methylcyclohexanone

CAS: 589-92-4

Formula: C₇H₁₂O

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 112.17

Ref: 3B-M0199

4-Methylcyclohexanone, 98+%

CAS: 589-92-4

4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form. It is used as intermediates of CCNU and it can be also be used as a solvent. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio.

Formula: C₇H₁₂O

Purity: 98+%

Color and Shape: Clear colorless to pale yellow, Liquid

Molecular weight: 112.17

Ref: 02-A13186

4-Methylcyclohexanone

CAS: 589-92-4

Formula: C₇H₁₂O

Purity: 98%

Color and Shape: Liquid

Molecular weight: 112.1696

Ref: IN-DA00374X

4-Methylcyclohexan-1-one

CAS: 589-92-4

4-Methylcyclohexan-1-one

Formula: C₇H₁₂O

Purity: 98%

Color and Shape: clear colourless liquid

Molecular weight: 112.17g/mol

Ref: 54-OR5041

4-Methylcyclohexanone

Controlled Product

CAS: 589-92-4

Applications 4-Methylcyclohexanone is a metabolite of methylcyclohexylsulfamate, a nonnutritive sweetener.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Spillane, W.J., et. al.: J. Pharm. Sci., 68, 372 (1979)

Formula: C₇H₁₂O

Color and Shape: Neat

Molecular weight: 112.17

Ref: TR-M294885

4-Methylcyclohexanone

CAS: 589-92-4

4-Methylcyclohexanone is a diazonium salt that has been shown to be an intramolecular hydrogen-bonded substrate for the hydroxyl group. It has been used as a precursor for the synthesis of 2,4-diaminobenzoic acid (2,4-DABA) and 3,5-diaminoquinoxaline (3,5-DQNX). 4-Methylcyclohexanone is also used in the production of herbicides and other organic compounds. The reaction mechanism can be explained by considering that 4-methylcyclohexanone is an electron donor with two hydroxyl groups. One of these groups will react with a diazonium salt to provide the α-hydroxyimine intermediate. This intermediate then reacts with another molecule of cyclohexanone to yield the desired product. A typical example of this mechanism is shown below:
The acetate

Formula: C₇H₁₂O

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 112.17 g/mol

Ref: 3D-FM37699

4-Methylcyclohexanone

CAS: 589-92-4

Formula: C₇H₁₂O

Purity: 95.0%

Color and Shape: Liquid

Molecular weight: 112.172

Ref: 10-F241022