| Pubchem ID | 5283335 |
|---|---|
| CAS | 2463-53-8 |
| IUPAC name | (E)-non-2-enal |
| Synonyms | Trans-2-Nonenal|(E)-Non-2-enal|(E)-2-Nonenal|2-Nonenal, (2E)-|3-Hexylacrolein|2-trans-Nonenal|trans-2-Nonen-1-al|3-Hexyl-2-propenal|beta-Hexylacrolein|2-Nonenal, (E)-|Heptylideneacetaldehyde|alpha-Nonenyl aldehyde|Non-2-enal|(2E)-2-Nonenal|2-Nonen-1-al|(E)-2-nonen-1-al|trans-2-Nonenal|FEMA No. 3213|3-hexyl-acrolein |
| Categories | Flavor enhancer |
| SMILES | CCCCCCC=CC=O |
| InCheykey | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ |
| 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 |
|---|---|---|---|---|
| 140.226 | 0 | 1 | 6 | 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 |