PUBCHEM ID | 8767 |
Molecular Weight (mg/mol) | 274.406 |
Molecular Formula | C18H26O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
IUPAC Name | Citronellylphenylacetate |
Canonical SMILES | C/C(C)=CCC[C@@H](C)CCOC(=O)Cc1ccccc1 |
PUBCHEM IUPAC INCHIKEY | CVJBFMVLVJZZMM-MRXNPFEDSA-N |
Solubility Level | 2 |
Vapour Pressure |
XLOGP3 AA | NA |
CACTVS TPSA | 12.89 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 5.127 |
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 | 3.2146 |
Ocular Irritancy | None |
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 | Citronellyl alpha-toluate |