| Pubchem ID | 6276 |
|---|---|
| CAS | 71-41-0 |
| IUPAC name | pentan-1-ol |
| Synonyms | 1-Pentanol|Pentan-1-ol|Amyl alcohol|N-Amyl alcohol|n-Pentanol|Pentanol|Pentyl alcohol|Butylcarbinol|Amylol|1-Pentyl alcohol|n-Butylcarbinol|N-PENTYL ALCOHOL|Pentanol-1|Pentasol|Butyl carbinol|Alcool amylique |
| Categories | Flavor enhancer |
| SMILES | CCCCCO |
| InCheykey | InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| 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 |
|---|---|---|---|---|
| 88.15 | 1 | 1 | 3 | 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 | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |