PUBCHEM ID | 8294 |
Molecular Weight (mg/mol) | 196.292 |
Molecular Formula | C12H20O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
IUPAC Name | Linalylacetate |
Canonical SMILES | C=C[C@](C)(CC/C=C(C)/C)OC(C)=O |
PUBCHEM IUPAC INCHIKEY | UWKAYLJWKGQEPM-GFCCVEGCSA-N |
Solubility Level | 3 |
Vapour Pressure | -1.193 |
XLOGP3 AA | NA |
CACTVS TPSA | 41.13 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 3.114 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-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 | 2.77443 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
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 | 3,7-Dimethylocta-1,6-dien-3-yl acetate |