Ethyl 2-oxocyclohexanecarboxylate

Basic Information

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CAS Number

1655-07-8

Molecular Formula

C9H14O3

Molecular Weight

170.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

106 °C/11 mmHg

Water Solubility

Soluble in water.

Refractive Index

n20/D 1.477(lit.)

SMILES

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CCOC(=O)C1CCCCC1=O

InChI

InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3

InChIKey

FGSGHBPKHFDJOP-UHFFFAOYSA-N

LogP

1.3088

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

186

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 2-oxocyclohexanecarboxylate, 95%
8V73BMH08Z
Ethyl 2-cyclohexanonecarboxylate
Ethyl 2-cyclohexanone-1-carboxylate
Cyclohexanone-2-carboxylic acid ethyl ester
Ethyl cyclohexanone-2-carboxylate
ETHYL 2-OXOCYCLOHEXANECARBOXYLATE, (+/-)-
ethyl2-oxocyclohexanecarboxylate
ethyl 2-oxocyclohexylformate
SCHEMBL276016
MFCD00001631
2-carboethoxycyclohexanone
2-Cyclohexanonecarboxylic acid ethyl ester
NSC 18744
ethyl 2-cyclohexanone-carboxylate
ethyl 2-oxocyclohexane carboxylate
BP-12829
cyclohexanone-2-carboxylic acid ethylester
CS-M0078
NS00004475
F0001-0602
AKOS000280695
Ethyl 2-oxylcyclohexanecarboxylic
ethyl 2-cyclohexanone carboxylate
EINECS 216-731-5
ethyl 2-oxocyclohexanecarboxy late
NSC-18744
AC-5141
Ethyl 2-oxo-cyclohexanecarboxylate
Z104495370
AI3-04506

MDL Number

MFCD00001631

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8)?

Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8) is a white crystalline solid with a molecular weight of approximately 146.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo ester hydrolysis. It is also prone to intramolecular ester exchange reactions.

How is Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8) typically synthesized?

Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8) can be synthesized by reacting cyclohexanone with ethyl acetate in the presence of a strong acid catalyst, such as sulfuric acid. The reaction proceeds with good yield and high selectivity, making this a reliable method for industrial production.

What industries use Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8)?

Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It is also used in the polymer industry for modifying polymer properties and in the sensor industry for developing highly sensitive detection systems.

What precautions should be taken when handling Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8)?

When handling Ethyl 2-oxocyclohexanecarboxylate (CAS: 1655-07-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions.