(2E,4E)-2,4-Octadienal

Basic Information

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CAS Number

5577-44-6

Molecular Formula

C8H12O

Molecular Weight

124.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Boiling Point

198.2±9.0 ºC (760 Torr),

Density

0.875 g/mL at 25 °C

Flash Point

83.0±11.0 ºC,

Refractive Index

n20/D 1.526(lit.)

Odor

10.00% 的二丙二醇溶液。蔬菜气味

SMILES

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CCCC=CC=CC=O

InChI

InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+

InChIKey

DVVATNQISMINCX-YTXTXJHMSA-N

LogP

2.0978

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

112

Safety Information

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Storage Conditions

2-8°C

Synonyms & References

English

2,4-Octadienal
2,4-OCTADIEN-1-AL
FEMA 3721
T2 T4 OCTADIENAL
trans,trans-2,4-Octadienal
2,4-OCTADIENAL
2 4-OCTADIENAL 97+% PREDOMINANTLY &
2,4-Octadienal, predominantly trans,trans
2,4-Octadienal, predominantly trans,trans >=95%, FG

MDL Number

MFCD00014676

FAQ

What are the physical and chemical properties of (2E,4E)-2,4-Octadienal (CAS: 5577-44-6)?

(2E,4E)-2,4-Octadienal is a colorless to light yellow liquid with a strong aldehyde odor. Its molecular weight is approximately 132.17 g/mol. The compound is slightly soluble in water but soluble in most organic solvents. It is moderately reactive, especially towards nucleophiles and reductive aminations. It has a melting point of -31°C and a boiling point of 175°C under standard conditions.

How is (2E,4E)-2,4-Octadienal (CAS: 5577-44-6) typically synthesized?

(2E,4E)-2,4-Octadienal can be synthesized through the dehydration of (2E,4E)-2,4-octadien-1-ol or by the Wittig reaction using triphenylphosphonium bromide and octenyl bromide. The synthesis usually involves heating the reactants under reflux conditions, followed by distillation to purify the product. This method provides good yield and selectivity, making it a common route for industrial production.

What industries use (2E,4E)-2,4-Octadienal (CAS: 5577-44-6)?

(2E,4E)-2,4-Octadienal is widely used in the fragrance and flavor industry due to its characteristic odor. It also finds applications in the pharmaceutical industry for the synthesis of certain compounds. Additionally, it is used as a precursor in the polymer industry, where it can be incorporated into polymer structures. Its reactivity makes it useful in sensor technology and semiconductor manufacturing processes.

What precautions should be taken when handling (2E,4E)-2,4-Octadienal (CAS: 5577-44-6)?

When handling (2E,4E)-2,4-Octadienal, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation of the volatile compound. Spills should be carefully absorbed with inert materials and disposed of according to local regulations. Always refer to a Safety Data Sheet (SDS) for detailed handling and emergency procedures.