Hinesol Details
:
IUPAC Name
2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description
:Fragrance Type
spicy, peppery, woody
Physical and Chemical properties
| PUBCHEM ID | 289964 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 222.37 |
| Molecular Formula | C15H26O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol |
| Canonical SMILES | CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
| PUBCHEM IUPAC INCHIKEY | ICWHTQRTTHCUHW-UHFFFAOYSA-N |
| Solubility Level | |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 4.8 |
| CACTVS TPSA | 20.815 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.665 |
| 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 | |
| Rat Oral LD50 | 0.865436 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| Environmental hazards | not classified |
Compound Biological Activity
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | katafa or katrafay | Cedrelopsis grevei essential oil |
Compound Image
2D Structure
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