PUBCHEM ID | 65575 |
CAS Registry Number | 0.0 |
Aroma Threshold | 0.0 |
Molecular Weight (g/mol) | 222.366 |
Molecular Formula | C15H26O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
IUPAC Name | |
Canonical SMILES | CC1CCC2C(C)(C)C3CC12CCC3(C)O |
PUBCHEM IUPAC INCHIKEY | SVURIXNDRWRAFU-OGMFBOKVSA-N |
Solubility Level | 2 |
Vapour Pressure |
XLOGP3 AA | 3.9 |
CACTVS TPSA | 20.2 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.157 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 1.84691 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
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 | Abies sachalinensis | Abies sachalinensis essential oil | ||
2 | Yellow bugle | Ajuga chamaepitys essential oil | ||
3 | Lemon verbena | Aloysia citrodora essential oil | ||
4 | Gloiopeltis tenax | Gloiopeltis tenax Essential oil |