| Pubchem ID | 177 |
|---|---|
| CAS | 75-07-0 |
| IUPAC name | acetaldehyde |
| Synonyms | Ethanal|acetic aldehyde|ethyl aldehyde|aldehyde|Octowy aldehyd|Acetic ethanol|Aldeide acetica|Aldehyde acetique|Azetaldehyd|Acetaldehyde |
| Categories | Flavor enhancer |
| SMILES | CC=O |
| InCheykey | InChI=1S/C2H4O/c1-2-3/h2H,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 44.053 | 0 | 1 | 0 | 17.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |