| Pubchem ID | 5352807 |
|---|---|
| CAS | 10339-61-4 |
| IUPAC name | (E)-non-3-en-1-ol |
| Synonyms | (E)-3-Nonen-1-ol|UNII-7EP1R1YKN8|(E)-non-3-en-1-ol|(3E)-3-Nonen-1-ol|3-Nonen-1-ol, (E)-|3-Nonen-1-ol, (3E)- |
| Categories | Flavor enhancer |
| SMILES | CCCCCC=CCCO |
| InCheykey | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+ |
| 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 |
|---|---|---|---|---|
| 142.242 | 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 | Optimal Solubility | Binder | High | 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 | Non-Irritant | Non-Irritant | Degradable |