| Pubchem ID | 263 |
|---|---|
| CAS | 71-36-3 |
| IUPAC name | butan-1-ol |
| Synonyms | 1-butanol|Butan-1-ol|butanol|n-butanol|Butyl alcohol|n-butyl alcohol|1-hydroxybutane|Propylcarbinol|Butyl hydroxide|Propylmethanol|Methylolpropane|Hemostyp|Butyric alcohol|n-Butan-1-ol|1-Butyl alcohol|Butanolo|Propyl carbinol|Butylowy alkohol|Alcool butylique |
| Categories | Flavor enhancer |
| SMILES | CCCCO |
| InCheykey | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 74.123 | 1 | 1 | 2 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |