(4Z)-4-Heptenal

Basic Information

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CAS Number

6728-31-0

Molecular Formula

C7H12O

Molecular Weight

112.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Melting Point

-53.35°C (estimate)

Boiling Point

58°C/21mmHg

Density

0.850 g/mL at 20 °C

Refractive Index

n20/D 1.434

SMILES

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CC/C=C\CCC=O

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey

VVGOCOMZRGWHPI-ARJAWSKDSA-N

LogP

1.9317

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

74.5

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

4-Heptenal, (4Z)-
Cis-4-Heptenal
cis-4-Hepten-1-al
( Z)-Hept-4-enal
(4Z)-4-Heptenal
(Z)-4-Hepten-1-al
(Z)-4-Heptenal
4-(Z)-Heptenal
Hept-4(Z)-enal
Hept-cis-4-enal
4-Heptenal,(Z)- (8CI)
(4Z)-Heptenal
4-cis-Heptenal

MDL Number

MFCD00014682

FAQ

What are the physical and chemical properties of (4Z)-4-Heptenal (CAS: 6728-31-0)?

(4Z)-4-Heptenal is a colorless liquid with a pungent, greenish odor. It has a molecular weight of 110.19 g/mol and a density of 0.89 g/cm³. This compound is slightly soluble in water but soluble in organic solvents. It is not highly reactive under normal conditions but can undergo oxidation to form ketones. It has a pKa of 16.2 and a boiling point of 156°C. It is stable under normal storage conditions but should be protected from light.

How is (4Z)-4-Heptenal (CAS: 6728-31-0) typically synthesized?

(4Z)-4-Heptenal is commonly synthesized using a Wittig reaction where a phosphonium ylide reacts with 4-heptenyl bromide. The reaction typically yields a 70-80% yield under mild conditions. Other methods include the reduction of 4-heptenaldehyde or the oxidation of 4-heptenol. The reaction is usually carried out in the presence of a suitable base and solvent.

What industries use (4Z)-4-Heptenal (CAS: 6728-31-0)?

(4Z)-4-Heptenal is used in the fragrance and flavor industry due to its characteristic green, leafy aroma. It is also used in the food industry as a flavoring agent. In the pharmaceutical industry, it is utilized as a starting material for the synthesis of other compounds. Additionally, it is sometimes used in the polymer industry and chemical research as a reagent. Its applications in sensors and semiconductors are less common but are being explored for their potential in these fields.

What precautions should be taken when handling (4Z)-4-Heptenal (CAS: 6728-31-0)?

When handling (4Z)-4-Heptenal, it is important to use appropriate personal protective equipment (PPE), including safety glasses and gloves. It should be stored in a cool, dry place, away from heat and direct sunlight. In case of a spill, it should be handled using appropriate spill kits and collected for proper disposal. It is recommended to keep the material safety data sheet (MSDS) or safety data sheet (SDS) readily available for reference. The compound is not highly toxic, but inhalation or ingestion can cause irritation and should be avoided. Proper ventilation should be maintained during handling.