PUBCHEM ID | 11527 |
Molecular Weight (mg/mol) | 130.228 |
Molecular Formula | C8H18O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 5 |
IUPAC Name | octan-3-ol |
Canonical SMILES | CCCCCC(O)CC |
PUBCHEM IUPAC INCHIKEY | NMRPBPVERJPACX-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -0.475 |
XLOGP3 AA | |
CACTVS TPSA | 20.2 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.784 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 2.23399 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |