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Methyl 2-oxocyclohexanecarboxylate(CAS: 41302-34-5)

Methyl 2-oxocyclohexanecarboxylate
CAS Number

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Basic Information

Molecular Formula
C8H12O3
Molecular Weight
156.18 g/mol

Physical Properties

Boiling Point
50 °C/0.2 mmHg(lit.)

Chemical Identifiers

SMILES
COC(=O)C1CCCCC1=O
InChIKey
JEENWEAPRWGXSG-UHFFFAOYSA-N

Database References

MDL Number
MFCD00077699

FAQ

Methyl 2-oxocyclohexanecarboxylate (CAS: 41302-34-5) is a colorless to light yellow liquid with a molecular weight of approximately 148.2 g/mol. It has a high melting point of around 49-50°C and a boiling point of 145-147°C. The compound is slightly soluble in water but miscible with many organic solvents. It is a reactive compound, prone to ester hydrolysis and ring-opening reactions under acidic or basic conditions.
Methyl 2-oxocyclohexanecarboxylate (CAS: 41302-34-5) can be synthesized via a carboxylation reaction of methyl 2-oxocyclohexane-1-carbaldehyde. This involves the condensation of cyclohexanone and acetaldehyde followed by the reaction with methyl iodide and a base such as potassium carbonate. The synthesis typically yields a high purity product with good selectivity and yield under appropriate conditions.
Methyl 2-oxocyclohexanecarboxylate (CAS: 41302-34-5) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of functionalized polymers, and in the sensor industry as a component in gas sensors. Additionally, it may find applications in the semiconductor industry for specific chemical processing steps.
Handling Methyl 2-oxocyclohexanecarboxylate (CAS: 41302-34-5) requires the use of appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The compound should be stored in a cool, dry place away from heat sources and incompatible materials. Fume hoods should be used during handling to minimize exposure. In case of spill, the area should be ventilated and spill kits should be used for proper containment and disposal. Always consult the Safety Data Sheet (SDS) for detailed handling and safety instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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