Propyl 4-oxopentanoate

Basic Information

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CAS Number

645-67-0

Molecular Formula

C8H14O3

Molecular Weight

158.2 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

221°C

Density

0.9896

Refractive Index

1.4258

SMILES

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O=C(C)CCC(OCCC)=O

InChI

InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3

InChIKey

QOSMNYMQXIVWKY-UHFFFAOYSA-N

LogP

1.3088

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Pentanoic acid, 4-oxo-,propyl ester
Propyl Levulinate
propyl 4-oxopentanoate
n-Propyl levulinate
Levulinic Acid Propyl Ester
4-Oxopentanoic Acid Propyl Ester
4-Oxovaleric Acid Propyl Ester
Propyl 4-Oxovalerate
Pentanoic acid, 4-oxo-, propyl ester
V2C79957U4
Levulinic acid, propyl ester
FEMA No. 4480
NSC4876
Propyl 4-oxopentanoate #
Propyl levulinate, >=95%
QOSMNYMQXIVWKY-UHFFFAOYSA-N
AK326213
Propyl 4-Oxopentanoate

MDL Number

MFCD16041935

FAQ

What regulatory guidelines apply to Propyl 4-oxopentanoate (CAS: 645-67-0)?

Propyl 4-oxopentanoate (CAS: 645-67-0) 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 chemical substances used in food and medical applications. Manufacturers and distributors must comply with these regulations to ensure safe handling and use.

Are there alternatives to Propyl 4-oxopentanoate (CAS: 645-67-0) in synthesis?

While Propyl 4-oxopentanoate (CAS: 645-67-0) is a specific compound, there are alternatives such as other carboxylic acid derivatives or related esters that can serve similar purposes in synthesis. Common alternatives include ethyl 4-oxopentanoate or butyl 4-oxopentanoate, which can be used as precursors in similar chemical reactions.

What is the market or research trend for Propyl 4-oxopentanoate (CAS: 645-67-0)?

The market for Propyl 4-oxopentanoate (CAS: 645-67-0) is driven by its applications in the pharmaceutical and chemical industries. Research trends focus on its potential uses in drug synthesis and as a building block for more complex molecules. Market demand is influenced by emerging research in biotechnology and pharmaceuticals, with a growing emphasis on sustainable and environmentally friendly processes.

How should waste containing Propyl 4-oxopentanoate (CAS: 645-67-0) be handled?

Waste containing Propyl 4-oxopentanoate (CAS: 645-67-0) should be collected in appropriate containers and stored separately from other waste materials. It should be disposed of through professional waste disposal services that comply with local regulations. Environmental precautions include proper ventilation and safe handling to prevent exposure and contamination. Incineration is a common method for disposal, ensuring complete destruction and minimizing environmental impact.