| Pubchem ID | 7792 |
|---|---|
| CAS | 106-21-8 |
| IUPAC name | 3,7-dimethyloctan-1-ol |
| Synonyms | 3,7-Dimethyloctan-1-ol|3,7-Dimethyl-1-octanol|106-21-8|Tetrahydrogeraniol|Dimethyloctanol|Pelargol|Dihydrocitronellol |
| Categories | Flavor enhancer |
| SMILES | CC(C)CCCC(C)CCO |
| InCheykey | InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 158.285 | 1 | 1 | 6 | 20.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |