Cadalene Details
:
IUPAC Name
1,6-dimethyl-4-propan-2-ylnaphthalene
:Chemical Class
Sesquiterpene
:CAS Registry Number
483-78-3
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 10225 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 198.303 |
| Molecular Formula | C15H18 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 1,6-dimethyl-4-propan-2-ylnaphthalene |
| Canonical SMILES | Cc2ccc1c(C)ccc(C(C)C)c1c2 |
| PUBCHEM IUPAC INCHIKEY | VMOJIHDTVZTGDO-UHFFFAOYSA-N |
| Solubility Level | 1 |
| Vapour Pressure | -2.77 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 0 |
| BBB Level | 0 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 4.904 |
| EXT CYP2D6#Prediction | 1 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 0.375099 g/kg_body_weight |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Lavandula angustifolia | Sher-e-Kashmir | Lavandula angustifolia sher-e-Kashmir | |
| 2 | Pinnate lilac | Syringa pinnatifolia essential oil | ||
| 3 | Henna | Lawsonia inermis essential oil |
Compound Image
2D Structure
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