PUBCHEM ID | 10975 |
Molecular Weight (g/mol) | 154.249 |
Molecular Formula | C10H18O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 5 |
IUPAC Name | 2-methyl-6-methylideneoct-7-en-2-ol |
Canonical SMILES | C=CC(=C)CCCC(C)(C)O |
PUBCHEM IUPAC INCHIKEY | DUNCVNHORHNONW-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -1.427 |
XLOGP3 AA | 3 |
CACTVS TPSA | 20.2 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.586 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 3.31612 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Pitanga | Eugenia uniflora essential oil |