2,3-Octanedione

Basic Information

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CAS Number

585-25-1

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

173°C at 760 mmHg

Density

0.918

Flash Point

56.5°C

Refractive Index

1.419

SMILES

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CCCCCC(=O)C(C)=O

InChI

InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3

InChIKey

XCBBNTFYSLADTO-UHFFFAOYSA-N

LogP

1.7247999999999999

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

127

Synonyms & References

English

Octane-2,3-dione
2, 3 - OCTANEDIONE
2,3 OCTANEDIONE
2,2',3,5'-TETRACHLOROBIPHENYL
2,3-Octadione
2,3-Octandione
Acetyl caproyl
Methyl-pentyl-glyoxal
Octan-2,3-dion
Pentylmethyl diketone

MDL Number

MFCD06796191

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 2,3-Octanedione (CAS: 585-25-1)?

2,3-Octanedione (CAS: 585-25-1) is a colorless, crystalline solid with a molecular weight of approximately 120.19 g/mol. It has a solubility of up to 70 g/L in water and is highly soluble in common organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can undergo spontaneous decomposition when exposed to heat or light. It is reactive towards nucleophiles and is often used in organic synthesis due to its electrophilic character.

How is 2,3-Octanedione (CAS: 585-25-1) typically synthesized?

2,3-Octanedione can be synthesized through the oxidation of 2,3-octanediol or by the Wittig reaction using phosphoranes. The Wittig reaction, for instance, involves the reaction of 1-octen-3-yl phosphorane with aldehydes, producing 2,3-octanedione in good yield. Catalysts like palladium or platinum can enhance the reaction selectivity and yield. The method chosen depends on the availability of reactants and desired purity of the product.

What industries use 2,3-Octanedione (CAS: 585-25-1)?

2,3-Octanedione (CAS: 585-25-1) is used in various industries. It is a key intermediate in the production of perfumes and fragrances due to its pleasant odor. In the pharmaceutical industry, it is utilized as a precursor for the synthesis of drugs. Additionally, it is used in the polymer industry for the preparation of coatings and adhesives. In the food industry, it contributes to the flavor profile of certain products. It is also employed in the production of sensors and semiconductors for its specific chemical properties.

What precautions should be taken when handling 2,3-Octanedione (CAS: 585-25-1)?

When handling 2,3-Octanedione (CAS: 585-25-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a cool, dry, and well-ventilated area away from sources of heat and light. Fume hoods should be used during preparation and handling to minimize inhalation exposure. In case of a spill, it should be managed according to the Material Safety Data Sheet (MSDS) guidelines. Emergency showers and eye wash stations should be readily accessible. Always refer to the latest SDS for detailed safety information.