verbenone verbenone
structural formula
| business number | 01r9 |
|---|---|
| molecular formula | c10h14o |
| molecular weight | 150.22 |
| label |
none |
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.
