2,4-Hexadienoic acid

Basic Information

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CAS Number

22500-92-1

Molecular Formula

C6H8O2

Molecular Weight

112.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

SMILES

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C/C=C/C=C/C(=O)O

InChI

InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)

InChIKey

WSWCOQWTEOXDQX-UHFFFAOYSA-N

LogP

1.2033

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

Sorbic acid
(2Z,4E)-hexa-2,4-dienoic acid
BUTYL SORBATE
C6H8O2

FAQ

What are the physical and chemical properties of 2,4-Hexadienoic acid (CAS: 22500-92-1)?

2,4-Hexadienoic acid is a colorless or white solid with a melting point of 53-54°C. Its molecular weight is approximately 134.14 g/mol. It has a pKa of 4.8 and is slightly soluble in water. The compound exhibits esterification and amide formation reactions. It is prone to oxidation and polymerization under certain conditions.

How is 2,4-Hexadienoic acid (CAS: 22500-92-1) typically synthesized?

2,4-Hexadienoic acid can be synthesized via the hydrolysis of 2,4-hexadienoyl chloride or through the malonic ester synthesis route. Common catalysts include sulfuric acid or hydrochloric acid. The reaction typically yields a high percentage of the desired product with good selectivity.

What industries use 2,4-Hexadienoic acid (CAS: 22500-92-1)?

2,4-Hexadienoic acid is used in the pharmaceutical industry as a precursor to various drug molecules. It is also utilized in the polymer industry for the synthesis of polyesters and in the sensor industry for developing gas sensors. Additionally, it finds applications in the semiconductor industry for modifying surfaces.

What precautions should be taken when handling 2,4-Hexadienoic acid (CAS: 22500-92-1)?

When handling 2,4-hexadienoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and moisture. In case of a spill, use appropriate spill containment and clean-up procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.