| Pubchem ID | 31289 |
|---|---|
| CAS | 124-19-6 |
| IUPAC name | nonanal |
| Synonyms | Pelargonaldehyde|1-Nonanal|Nonanaldehyde|Nonyl aldehyde|n-Nonaldehyde|Nonylic aldehyde|n-Nonanal|Nonylaldehyde|Nonaldehyde|Pelargonic aldehyde|Aldehyde C-9|Nonanoic aldehyde|1-Nonaldehyde|1-Nonyl aldehyde |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCC=O |
| InCheykey | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 |
| 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 |
|---|---|---|---|---|
| 142.242 | 0 | 1 | 7 | 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 | Slightly Soluble | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |