3-Acetyl-2,4-pentanedione

Basic Information

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CAS Number

815-68-9

Molecular Formula

C7H10O3

Molecular Weight

142.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

203.5 °C

Density

1.066 g/mL at 25 °C

Refractive Index

n20/D 1.487(lit.)

SMILES

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CC(=O)C(C(C)=O)C(C)=O

InChI

InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h7H,1-3H3

InChIKey

AUZFRUHVDNDVJI-UHFFFAOYSA-N

LogP

0.36960000000000015

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

148

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2,4-Pentanedione,3-acetyl-
Triacetylmethane

MDL Number

MFCD00004516

FAQ

What are the physical and chemical properties of 3-Acetyl-2,4-pentanedione (CAS: 815-68-9)?

3-Acetyl-2,4-pentanedione (CAS: 815-68-9) is a colorless to slightly yellow crystalline solid with a molecular weight of approximately 128.14 g/mol. It is soluble in ethanol and acetone but almost insoluble in water. The compound is moderately reactive with strong bases and reducing agents. It has a strong keto-enol tautomerism and is used in organic synthesis and as a flavoring agent.

How is 3-Acetyl-2,4-pentanedione (CAS: 815-68-9) typically synthesized?

3-Acetyl-2,4-pentanedione can be synthesized by the oxidation of 2,4-pentanedione with acetic anhydride under mild conditions. Common reagents include acetic anhydride and pyridine, providing high selectivity and yield. The reaction is typically carried out at ambient temperature and pressure.

What industries use 3-Acetyl-2,4-pentanedione (CAS: 815-68-9)?

3-Acetyl-2,4-pentanedione (CAS: 815-68-9) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the flavor and fragrance industry as a flavoring agent. It is also used in analytical chemistry as a reagent and in the production of sensors and semiconductors.

What precautions should be taken when handling 3-Acetyl-2,4-pentanedione (CAS: 815-68-9)?

When handling 3-Acetyl-2,4-pentanedione (CAS: 815-68-9), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and flammables. Work in a well-ventilated area or fume hood. In case of a spill, use appropriate absorbent materials and follow standard laboratory safety procedures. Always consult the Safety Data Sheet (SDS) for detailed safety information.