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.