| Pubchem ID | 1550884 |
|---|---|
| CAS | 101-86-0 |
| IUPAC name | (2E)-2-benzylideneoctanal |
| Synonyms | Hexylcinnamaldehyde|Hexyl cinnamic aldehyde|2-Benzylideneoctanal|(2E)-2-benzylideneoctanal|alpha-Hexylcinnamic aldehyde|2-Hexyl-3-phenyl-2-propenal|Octanal, 2-(phenylmethylene)- |
| Categories | Flavor enhancer |
| SMILES | CCCCCCC(=CC1=CC=CC=C1)C=O |
| InCheykey | InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+ |
| 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 |
|---|---|---|---|---|
| 216.324 | 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 | Low Solubility | Binder | Very 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 |