Trans-Sabinene Hydrate Details
: IUPAC Name
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
:Chemical Class
Ester
:CAS Registry Number
546-79-2
:Description
:Fragrance Type
balsamic
Physical and Chemical properties
| PUBCHEM ID | 62367 |
| Molecular Weight (mg/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol |
| Canonical SMILES | CC(C)C12CCC(C)(O)C1C2 |
| PUBCHEM IUPAC INCHIKEY | KXSDPILWMGFJMM-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.619 |
Absorption and Metabolism information
| XLOGP3 AA | 2.1 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.906 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| 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 | 1.79523 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
