Methyl cyclohexanecarboxylate

Basic Information

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CAS Number

4630-82-4

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

183°C

Boiling Point

183 °C

Refractive Index

n20/D 1.443(lit.)

SMILES

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COC(=O)C1CCCCC1

InChI

InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

LogP

1.7397

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

114

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H303 May be harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Synonyms & References

English

Methyl cyclohexanecarboxylate
Cyclohexanecarboxylic Acid Methyl Ester
Hexahydrobenzoic acid methyl ester
methoxycarbonylcyclohexane
methyl cyclohexane-carboxylate
Methyl cyclohexanoate
Methyl cyclohexylcarboxylate
Methyl cyclohexylformate
methyl hexahydrobenzoate
Hexahydrobenzoicacid methyl ester
Methyl hexahydrobenzoate
methyl cyclohexanecarboxylate

MDL Number

MFCD00001458

Customs Code

2915130000

FAQ

What are the physical and chemical properties of Methyl cyclohexanecarboxylate (CAS: 4630-82-4)?

Methyl cyclohexanecarboxylate (CAS: 4630-82-4) is a colorless to pale yellow liquid with a molecular weight of approximately 146.22 g/mol. It has a high boiling point of around 210-212°C and a low melting point of -94°C. This compound is moderately soluble in water but more soluble in organic solvents. It is moderately reactive, susceptible to hydrolysis under basic conditions, and can undergo esterification reactions.

How is Methyl cyclohexanecarboxylate (CAS: 4630-82-4) typically synthesized?

Methyl cyclohexanecarboxylate (CAS: 4630-82-4) is typically synthesized by the esterification of cyclohexanecarboxylic acid with methanol. Commonly, this reaction is catalyzed by strong acids like sulfuric acid or by solid catalysts such as tosylate esters. The process involves heating the reactants under reflux conditions, leading to good yields and high selectivity for the target ester product.

What industries use Methyl cyclohexanecarboxylate (CAS: 4630-82-4)?

Methyl cyclohexanecarboxylate (CAS: 4630-82-4) is used in various industries. It is a key intermediate in the pharmaceutical industry for the synthesis of certain drugs. In the polymer industry, it serves as a monomer in the production of certain resins. Additionally, it has applications in the sensor and semiconductor industries due to its physical and chemical properties.

What precautions should be taken when handling Methyl cyclohexanecarboxylate (CAS: 4630-82-4)?

When handling Methyl cyclohexanecarboxylate (CAS: 4630-82-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or in a fume hood to avoid inhalation of vapors. Spills should be immediately cleaned up with appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.