Khusimol Details
:
IUPAC Name
Khusimol
:Chemical Class
Alcohol
:CAS Registry Number
:Description
:Fragrance Type
sweet
Physical and Chemical properties
| PUBCHEM ID | 86575103 |
| Molecular Weight (g/mol) | 220.35046 |
| Molecular Formula | C15H24O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | |
| Canonical SMILES | C=C3C1CCC(CO)C12CCC(C2)C3(C)C |
| PUBCHEM IUPAC INCHIKEY | OOYRHNIVDZZGQV-LPXQKFACSA-N |
| Solubility Level | |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | |
| Absorption Level | |
| EXT PPB#Prediction | |
| AlogP98 | |
| EXT CYP2D6#Prediction |
Toxicological Information
| Mouse Female FDA | |
| Mouse Male FDA | |
| Rat Female FDA | |
| Rat Male FDA | |
| Ames Prediction | |
| Developmental / Reproductive Toxicity | |
| Rat Oral LD50 | |
| Ocular Irritancy | |
| Hepatotoxic#Prediction | |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| Environmental hazards | not classified |
