(3Z)-3-Hexen-1-yl (2E)-2-hexenoate

Basic Information

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CAS Number

53398-87-1

Molecular Formula

C12H20O2

Molecular Weight

196.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

264 ºC

Density

0.903

Flash Point

118 ºC

SMILES

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CCC/C=C/C(=O)OCC/C=C\CC

InChI

InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+

InChIKey

WAZKUHYKUCORDK-SUTBWYPISA-N

LogP

3.242200000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

(2E)-2-Hexenoic Acid (3Z)-3-Hexenyl Ester
CIS 3 HEXENYL, TRANS 2 HEXENOATE
[(Z)-hex-3-enyl] (E)-hex-2-enoate
cis-3-Hexenyl trans-2-hexenoate

MDL Number

MFCD03092973

Customs Code

2916190090

FAQ

What are the physical and chemical properties of (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1)?

The compound (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1) is a colorless liquid with a fruity odor. Its molecular weight is approximately 134.24 g/mol. It has a low viscosity and is soluble in common organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong acids to form esters. It is slightly soluble in water.

How is (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1) typically synthesized?

The compound (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1) is typically synthesized via the esterification of (2E)-2-hexenoic acid with (3Z)-3-hexen-1-ol. The reaction is catalyzed by an acid, such as sulfuric acid, and proceeds with good yield. The process is generally carried out in an organic solvent like methanol, and the reaction mixture is then neutralized and purified.

What industries use (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1)?

The compound (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1) is used in the fragrance and flavor industry as a synthetic aroma compound. It is also utilized in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry as a modifier. Additionally, it finds applications in the food and cosmetic industries.

What precautions should be taken when handling (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1)?

When handling (3Z)-3-Hexen-1-yl (2E)-2-hexenoate (CAS: 53398-87-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. The compound should be stored in a cool, well-ventilated area away from strong acids. In case of a spill, use an appropriate absorbent material and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and storage instructions.