Butyl 4-oxopentanoate

Basic Information

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CAS Number

2052-15-5

Molecular Formula

C9H16O3

Molecular Weight

172.22 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

237°C

Water Solubility

Slightly soluble in water.

Flash Point

91 ºC

Refractive Index

1.427-1.429

SMILES

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CCCCOC(=O)CCC(=O)C

InChI

InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3

InChIKey

ISBWNEKJSSLXOD-UHFFFAOYSA-N

LogP

1.6989

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

152

Safety Information

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GHS Hazard Pictograms

H316

Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Synonyms & References

English

Butyl 4-oxopentanoate
n-butyl 4-oxopentanoate
Levulinic acid n-butyl ester
2,4,5-Trimethoxyamphetamine Hydrochloride
Butyl levulinate
4-Oxovaleric acid butyl ester
Butyl 4-ketovalerate
Butyl 4-Oxovalerate
Butyl acetylpropionate
Butyl laevulinate
butyl-4-oxopentanoate
Laevulinsaeure-butylester
Levulinic Acid Butyl Ester
n-Butyl laevulinate
n-Butyl levulinate
Pentanoic acid,4-oxo-,butyl ester
4-Oxo-pentanoic acid butyl ester
4-Oxovaleric Acid Butyl Ester

MDL Number

MFCD00009449

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Butyl 4-oxopentanoate (CAS: 2052-15-5)?

Butyl 4-oxopentanoate (CAS: 2052-15-5) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for the United States. Manufacturers and distributors must ensure compliance with these guidelines for labeling, storage, and handling to prevent exposure and ensure workplace safety.

Are there alternatives to Butyl 4-oxopentanoate (CAS: 2052-15-5) in synthesis?

While Butyl 4-oxopentanoate (CAS: 2052-15-5) is a versatile compound, there are alternatives such as other esters or carboxylic acids that can serve similar purposes in synthesis. For instance, using ethyl butyrate or acetic acid could be viable substitutes depending on the specific reaction conditions and desired product characteristics.

What is the market or research trend for Butyl 4-oxopentanoate (CAS: 2052-15-5)?

The market for Butyl 4-oxopentanoate (CAS: 2052-15-5) is showing steady growth driven by its applications in fragrances and flavorings. Research trends indicate increasing interest in its use as a bio-based alternative to traditional synthetic compounds. Additionally, there is growing focus on its potential in cosmetics and personal care products due to its pleasant aroma.

How should waste containing Butyl 4-oxopentanoate (CAS: 2052-15-5) be handled?

Waste containing Butyl 4-oxopentanoate (CAS: 2052-15-5) should be collected in appropriate containers and stored separately to prevent contamination. Incineration is a common disposal method, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Employ proper personal protective equipment and follow safety protocols to minimize environmental impact and ensure worker safety.