Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate

Basic Information

View in Editor

CAS Number

5413-60-5

Molecular Formula

C12H16O2

Molecular Weight

192.26 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

288.25°C (rough estimate)

Flash Point

101.8 °C

Refractive Index

1.5100 (estimate)

SMILES

View in Editor

CC(OC1CC2C3C=CCC3C1C2)=O

InChI

InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3

InChIKey

RGVQNSFGUOIKFF-UHFFFAOYSA-N

LogP

2.1502

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

295

Synonyms & References

English

3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate
Jasmacyclene
Tricyclodecenyl Acetate
Tricyclodecenyl propionate
7-methano-1h-inden-6-ol, 3a,4,5,6,7,7a-hexahydro- acetate
dihydro-nordicyclopentadienyl acetate
tricyclodecen-4-yl 8-acetate
verdyl acetate
tricyclodecylene acetate
3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
5232EN3X2F
4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate
Herbaflorat
Jasmacyclen
Greenyl

MDL Number

MFCD00135806

Customs Code

2915390090

FAQ

What are the physical and chemical properties of Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5)?

Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5) is a crystalline compound with a molecular weight of approximately 220.33 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. The compound exhibits typical reactivity of esters, such as susceptibility to hydrolysis under basic conditions. It is also a relatively stable compound under normal storage conditions.

How is Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5) typically synthesized?

Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5) is typically synthesized via the esterification of 8-decenoic acid with acetic anhydride, catalyzed by a strong acid like sulfuric acid. The reaction is carried out at elevated temperatures, and the product is purified by recrystallization. The yield is generally around 75-80%, and the method is known for its high selectivity and ease of purification.

What industries use Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5)?

Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5) finds applications in the pharmaceutical industry for the synthesis of certain organic compounds and in the polymer industry for modifying polymer properties. It is also used in the manufacture of some sensor materials and in the preparation of semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5)?

When handling Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl acetate (CAS: 5413-60-5), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored at room temperature away from direct sunlight and heat sources. Spills should be cleaned up immediately using appropriate materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.