Verbenone Verbenone

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:80-57-9

MDL number:None

EINECS number:201-292-4

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Similar to camphor, A colorless, viscous liquid with the aroma of menthol and celery.

2. Density ( g/mL,25/4 ℃): 0.974g/cm3

3.Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point ( ºC): Unsure

5. Boiling point ( ºC,Normal pressure):103～104℃（ 2.133kPa)

6. Boiling point ( ºC,5.2kPa): Unsure

7. Refractive index: 1.4995

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): +246°

10. Autoignition point or ignition temperature (ºC): No OK

11. Vapor pressure (kPa,25ºC): Unsure

12. ):352.7

4. Surface Tension (dyne/cm):29.4

5. Polarizability（10^-24cm³):17.48

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 248

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealedAvoid lightSave.

Synthesis method

Exists in Eucalyptus globulus (Euca -lyptus globulus), Spanish verbena (Verbena triphvlla) oil and oxidized turpentine. Byα-pinene Auto-oxidized or composed ofα-Pinene is produced by oxidation.

Purpose

Used as spice raw materials and intermediates.

α-pinene Prepared by oxidation.

Purpose

Used as spice raw materials and intermediates.