PUBCHEM ID | 7335 |
Molecular Weight (mg/mol) | 194.276 |
Molecular Formula | C12H18O2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
IUPAC Name | |
Canonical SMILES | C=C(C)[C@@H]1C/C=C(C)[C@H](OC(C)=O)C1 |
PUBCHEM IUPAC INCHIKEY | YTHRBOFHFYZBRJ-VXGBXAGGSA-N |
Solubility Level | 3 |
Vapour Pressure |
XLOGP3 AA | NA |
CACTVS TPSA | 99.38 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.779 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Single-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 3.27517 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | Carvyl acetate |