PUBCHEM ID | 12404 |
CAS Registry Number | 0.0 |
Aroma Threshold | 0.0 |
Molecular Weight (g/mol) | 298.547 |
Molecular Formula | C20H42O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 18 |
IUPAC Name | icosan-1-ol |
Canonical SMILES | CCCCCCCCCCCCCCCCCCCCO |
PUBCHEM IUPAC INCHIKEY | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | -6.278 |
XLOGP3 AA | |
CACTVS TPSA | 20.2 |
BBB Level | 4 |
Absorption Level | 3 |
EXT PPB#Prediction | 1 |
AlogP98 | 8.269 |
EXT CYP2D6#Prediction | 1 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 11.909 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Rajanigandha | Polianthes tuberosa essential oil | ||
2 | Rose, Damask Rose | Noorjahan | Rosa damascena Noorjahan essential oil |