Exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol
Structural formula
| Business number | 03JH |
|---|---|
| Molecular formula | C10H18O |
| Molecular weight | 154.25 |
| label |
Bornhenol-2, isoborneol, Isocampic acid-2, Isoborneol, Isobornyl alcohol, isobornyl alcohol, Isocampool, 3-bornillol, DL-Isoborneol, Isoborneol, food additives, Flavor enhancer |
Numbering system
CAS number:124-76-5
MDL number:MFCD00074821
EINECS number:204-712-4
RTECS number:NP7300000
BRN number:None
PubChem number:24895930
Physical property data
1. Character: white or slightly yellow crystal
2. Melting point: 212(seal)℃
3. Optical rotation: left-handed [α]D+34.3°(ethanol); Dextral [α]D-34.3°(ethanol)
4. Boiling point (ºC): 214
Toxicological data
Skin/eye irritation data
Rabbit skin contact: 500mg/24H moderate reaction
Acute toxicity data
Rat oral LD50: 5200mg/ kg
Mouse vein LD50: 56mg/kg
Rabbit skin LD50: >5mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 45.85
2. Molar volume (cm3/mol): 155.3
3. Isotonic specific volume (90.2K): 381.3
4. Surface tension (dyne/cm): 36.2
5. Polarizability (10-24cm3): 108.17
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 2.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 20.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 185
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 3
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Basic properties: Bicyclic monoterpenoids, which are the main isomers of bohenol. sex��Similar to camphor.
Storage method
Storage: Store at room temperature.
Synthesis method
None
Purpose
Usage: Used as a spice in medicine and daily chemical products, and also as a preservative.