| Pubchem ID | 20928 |
|---|---|
| CAS | 4798-44-1 |
| IUPAC name | hex-1-en-3-ol |
| Synonyms | Propylvinylcarbinol|3-Hydroxy-1-hexene|Vinyl propyl carbinol|Propyl vinyl carbinol|1-Vinylbutanol|1-Vinylbutan-1-ol|FEMA No. 3608 |
| Categories | Flavor enhancer |
| SMILES | CCCC(C=C)O |
| InCheykey | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3 |
| 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 |
|---|---|---|---|---|
| 100.161 | 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 | Binder | High | 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 | Irritant | Irritant | Degradable |