Ethyl 4-cyclopentyl-3-oxobutanoate

Basic Information

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CAS Number

68104-99-4

Molecular Formula

C11H18O3

Molecular Weight

198.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

273.002°C at 760 mmHg

Density

1.028

Flash Point

114.618°C

Refractive Index

1.459

SMILES

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CCOC(=O)CC(=O)CC1CCCC1

InChI

InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)7-9-5-3-4-6-9/h9H,2-8H2,1H3

InChIKey

NSNBPUDFVSNTOM-UHFFFAOYSA-N

LogP

2.089

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

Synonyms & References

English

DTXSID00634541
SCHEMBL3109485
68104-99-4
FT-0651075
A836007
ETHYL 4-CYCLOPENTYL-3-OXOBUTANOATE
Ethyl 4-cyclopentyl-3-oxobutyrate
4-cyclopentyl-3-oxobutanoic acid ethyl ester
AKOS006278139
SB38302
4-Cyclopentyl-3-oxo-butyric acid ethyl ester
MFCD03844431
NSNBPUDFVSNTOM-UHFFFAOYSA-N
AB1427
CYCLOPENTANEBUTANOICACID, B-OXO-, ETHYL ESTER
ETHYL4-CYCLOPENTYL-3-OXOBUTANOATE
ethyl 4-cyclopentyl-3-oxidanylidene-butanoate
Ethyl 4-cyclopentyl-3-oxobutanoate
4-cyclopentyl-3-oxo-butyric acid ethyl ester
Cyclopentanebutanoicacid, beta-oxo-, ethyl ester
4-Cyclopentyl-acetessigsaeure-aethylester
4-cyclopentyl-acetoacetic acid ethyl ester
ethyl 4-cyclopentyl-3-oxobutyrate
RW1177

MDL Number

MFCD03844431

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4)?

Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) falls under the scope of the REACH regulations in the European Union, which require manufacturers and importers to register chemicals if they meet certain tonnage thresholds. Additionally, the substance may be regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes specific hazard classification criteria. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific regulations and guidelines for the use and handling of this chemical, particularly if it is intended for specific end uses such as food contact or pharmaceuticals.

Are there alternatives to Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) in synthesis?

There are several alternatives to Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) that can be used in synthesis, depending on the desired properties and functional groups. Some common alternatives include related esters, such as methyl 4-cyclopentyl-3-oxobutanoate, or cyclic compounds like cyclopentanone. These alternatives can provide similar functionalities and can be synthesized using different reagents and conditions.

What is the market or research trend for Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4)?

The market for Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) is currently stable, with increasing interest in its use as a fragrance and flavoring agent. Recent research trends have focused on its potential applications in the food and cosmetic industries. There is also growing interest in the environmental impact and biodegradability of such chemicals, which may influence future demand and research directions.

How should waste containing Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) be handled?

Waste containing Ethyl 4-cyclopentyl-3-oxobutanoate (CAS: 68104-99-4) should be collected and disposed of in accordance with local regulations and guidelines. Proper waste handling may include separation of waste into compatible streams, followed by either incineration or professional waste disposal facilities. Environmental protection precautions should be taken to prevent contamination of soil and water sources. It is crucial to ensure that waste management practices comply with regulatory requirements to minimize environmental impact.