| Pubchem ID | 8221 |
|---|---|
| CAS | 112-92-5 |
| IUPAC name | octadecan-1-ol |
| Synonyms | Octadecanol|1-Hydroxyoctadecane|Octadecyl alcohol|n-Octadecanol|Stearol|n-Octadecyl alcohol|n-1-Octadecanol|Stearic alcohol|Atalco S|Alfol 18|Steraffine|Polaax|Stenol|Crodacol-S |
| Categories | Preservative |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| InCheykey | InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 270.501 | 1 | 1 | 16 | 20.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Low Solubility | Binder | Undefined | Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |