3,4-Hexanedione

Basic Information

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CAS Number

4437-51-8

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-10 ºC

Boiling Point

130°C

Water Solubility

127 g/L (20 ºC)

Refractive Index

n20/D 1.41(lit.)

SMILES

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CCC(=O)C(=O)CC

InChI

InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3

InChIKey

KVFQMAZOBTXCAZ-UHFFFAOYSA-N

LogP

0.9446

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

91.1

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

3,4-Hexanedione
Hexane-3,4-dione
Dipropionyl
Bipropionyl
NSC 23255

MDL Number

MFCD00010237

Customs Code

2914501900

FAQ

What are the physical and chemical properties of 3,4-Hexanedione (CAS: 4437-51-8)?

3,4-Hexanedione (CAS: 4437-51-8) is a colorless, crystalline solid with a molecular weight of 116.13 g/mol. It has a solubility of 65 g/L in water and is slightly soluble in ethanol. Chemically, it is moderately reactive, showing some susceptibility to hydrolysis under basic conditions. It is used in various applications due to its reactivity and specific functional groups.

How is 3,4-Hexanedione (CAS: 4437-51-8) typically synthesized?

3,4-Hexanedione can be synthesized through the oxidation of hexanal using potassium permanganate or other oxidizing agents. The reaction is carried out in an acidic medium, providing good selectivity and yield. This method is widely used due to its simplicity and efficiency in producing pure 3,4-hexanedione.

What industries use 3,4-Hexanedione (CAS: 4437-51-8)?

3,4-Hexanedione (CAS: 4437-51-8) is utilized in various industries. It is a key intermediate in the synthesis of pharmaceuticals, including antifungal and antiviral drugs. It also serves as a precursor in the production of polymers, particularly in the formulation of polyurethane. Additionally, its sensing properties make it useful in the development of chemical sensors and in semiconductor manufacturing.

What precautions should be taken when handling 3,4-Hexanedione (CAS: 4437-51-8)?

When handling 3,4-Hexanedione (CAS: 4437-51-8), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of spillage, neutralize the substance using an appropriate neutralizing agent and follow the safety data sheet (SDS) guidelines for disposal and clean-up. Always follow the recommended handling procedures and maintain a safe working environment.