2-Ethylhexyl 3-cyclohexene-1-carboxylate

Basic Information

View in Editor

CAS Number

63302-64-7

Molecular Formula

C15H26O2

Molecular Weight

238.37 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

304.6±21.0 ºC (760 Torr),

Density

0.941±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

130.7±9.6 ºC,

Refractive Index

1.469

SMILES

View in Editor

CCCCC(CC)COC(=O)C1CCC=CC1

InChI

InChI=1S/C15H26O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-7,13-14H,3-5,8-12H2,1-2H3

InChIKey

OOBVOBFENTULJB-UHFFFAOYSA-N

LogP

4.102300000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

245

Synonyms & References

English

3-Cyclohexene-1-carboxylicacid, 2-ethylhexyl ester
2-ethylhexyl cyclohex-3-ene-1-carboxylate
3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
3-CYCLOHEXENE-1-CARBOXYLIC ACID 2-ETHYLHEXYL ESTER
Cyclohex-3-enecarboxylic acid 2-ethyl-hexyl ester

MDL Number

MFCD18976345

FAQ

What are the physical and chemical properties of 2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7)?

2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7) is a colorless to light yellow liquid with a molecular weight of approximately 212.33 g/mol. It has a low melting point around -35°C and a boiling point of about 180°C. The compound is slightly soluble in water but miscible with common organic solvents like ethanol and acetone. It is reactive due to its unsaturated carbonyl functionality and can undergo typical organic reactions such as esterification and reduction.

How is 2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7) typically synthesized?

2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7) is typically synthesized via a condensation reaction of 3-cyclohexene-1-carboxylic acid with 2-ethylhexanol in the presence of a suitable catalyst such as polyphosphoric acid. This process involves the formation of an ester bond, yielding the target compound with good yield and selectivity.

What industries use 2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7)?

2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7) is used in various industries. It finds applications in the pharmaceutical sector as a precursor in the synthesis of biologically active molecules. In the polymer industry, it serves as an additive to improve the flexibility and durability of polymer materials. Additionally, it is utilized in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7)?

When handling 2-Ethylhexyl 3-cyclohexene-1-carboxylate (CAS: 63302-64-7), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.