| Pubchem ID | 8063 |
|---|---|
| CAS | 110-62-3 |
| IUPAC name | pentanal |
| Synonyms | n-Pentanal|n-Valeraldehyde|Valeric aldehyde|Valeral|Valeryl aldehyde|Amylaldehyde|Butyl formal|Amyl aldehyde|Valeric acid aldehyde|Valerylaldehyde|Valerianic aldehyde|n-Valeric aldehyde|Pentyl aldehyde|1-pentanal|FEMA Number 3098 |
| Categories | Flavor enhancer |
| SMILES | CCCCC=O |
| InCheykey | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| 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 |
|---|---|---|---|---|
| 86.134 | 0 | 1 | 3 | 17.1 |
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 | High | Non - 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 | Irritant | Irritant | Degradable |