3,6-Octanedione

Basic Information

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CAS Number

2955-65-9

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

Melting Point

34-36 ºC

Boiling Point

227 ºC

Flash Point

82 ºC

Refractive Index

1.4559 (estimate)

SMILES

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CCC(=O)CCC(=O)CC

InChI

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

InChIKey

CVZGUJMLZZTPKH-UHFFFAOYSA-N

LogP

1.7247999999999999

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

111

Synonyms & References

English

DTXSID7073309
AKOS006279724
Q27896657
SY262835
MS-20797
3,6-octandione
Octan-3,6-dion
3,6-octaendione
MFCD03093028
3,6-Octanedione
CS-0152646
octane-3,6-dione
2955-65-9
J-017564
56742H0Z37
Y14693
SCHEMBL619312
FT-0614777
UNII-56742H0Z37
AMY42063
Octane-3,6-dione
3,6-OCTANDIONE

MDL Number

MFCD03093028

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 3,6-Octanedione (CAS: 2955-65-9)?

3,6-Octanedione, also known as hexanedione, is a colorless, crystalline solid with a molecular weight of 128.17 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol, acetone, and chloroform. Chemically, it is moderately reactive, capable of undergoing nucleophilic addition reactions and condensation polymerization.

How is 3,6-Octanedione (CAS: 2955-65-9) typically synthesized?

3,6-Octanedione is typically synthesized via the oxidation of hexanedial using oxidizing agents such as potassium permanganate or hydrogen peroxide. The reaction is usually conducted in an aqueous medium, and the yield is around 70-80%, with high selectivity for the desired product.

What industries use 3,6-Octanedione (CAS: 2955-65-9)?

3,6-Octanedione is widely used in the pharmaceutical industry for flavor and fragrance production, in polymer manufacturing as a monomer, and in the production of sensors and semiconductors. Its use in these sectors is due to its ability to impart specific flavors and aromas, its role in the synthesis of polyesters, and its reactivity in electronic applications.

What precautions should be taken when handling 3,6-Octanedione (CAS: 2955-65-9)?

When handling 3,6-Octanedione (CAS: 2955-65-9), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and away from heat sources. In case of a spill, immediately clean up using appropriate absorbents and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.