Ethyl 4-oxocyclohexanecarboxylate

Basic Information

View in Editor

CAS Number

17159-79-4

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

Physical State

Colorless to Yellow Liquid

Boiling Point

152°C/40mmHg

Refractive Index

n20/D 1.461(lit.)

SMILES

View in Editor

CCOC(=O)C1CCC(=O)CC1

InChI

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

InChIKey

ZXYAWONOWHSQRU-UHFFFAOYSA-N

LogP

1.3088

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

176

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-oxo-cyclo-hexanecarboxylic acid ethyl ester
Ethyl cyclohexanone-4-carboxylate
F0001-0624
ethyl 4-oxocyclohexane-1-carboxylate
SCHEMBL5483
4-(Ethoxycarbonyl)-1-cyclohexanone
NSC-250674
EN300-64295
ethyl 4-oxo-cyclohexylcarboxylate
AKOS005254935
NSC250674
FT-0618313
NS00001838
4-ketocyclohexanecarboxylic acid ethyl ester
4-(Ethoxycarbonyl)cyclohexanone, Ethyl cyclohexanone-4-carboxylate
4-ethoxycarbonyl-cyclohexanone
4-Cyclohexanonecarboxylic Acid Ethyl Ester
AC-1078
CHEBI:166505
AM81157
DTXSID10312146
A3785
BP-12691
UNII-8L96JCJ75Y
EC 628-731-6
ZXYAWONOWHSQRU-UHFFFAOYSA-N
C1530
ethyl-4-oxocyclohexanecarboxylate
4-carboethoxy-cyclohexanone
17159-79-4
4-oxo-cyclohexanecarboxylic acid ethyl ester

MDL Number

MFCD00013285

Customs Code

2918300090

FAQ

What is Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4)?

Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) is a cyclic ester compound with the chemical formula C9H14O4. It features a six-membered cyclohexane ring with a ketone group at the 4-position and an ethyl ester group. Known for its stability and reactivity in organic synthesis, it is commonly used as an intermediate in pharmaceutical and chemical manufacturing processes.

What are the main uses of Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4)?

Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) is widely utilized in pharmaceuticals for synthesizing bioactive compounds and drug molecules. It also serves as a key intermediate in industrial applications, including polymer synthesis and fragrance production. In research, it is valued for its role in creating complex organic structures and functional chemicals.

Is Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) safe?

Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) is generally considered safe when handled properly. However, it may cause mild skin or eye irritation. Safety precautions include using appropriate personal protective equipment (PPE) and ensuring proper ventilation. It adheres to standard chemical safety guidelines and is non-flammable under normal conditions.

How should Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) be stored?

Ethyl 4-oxocyclohexanecarboxylate (CAS: 17159-79-4) should be stored in a cool, dry place (≤25°C), away from light and moisture. Keep in airtight, sealed containers to maintain stability and prevent contamination. Avoid exposure to incompatible substances and ensure proper labeling for safe handling and storage.