| Pubchem ID | 126 |
|---|---|
| CAS | 123-08-0 |
| IUPAC name | 4-hydroxybenzaldehyde |
| Synonyms | p-Hydroxybenzaldehyde|4-Formylphenol|p-Formylphenol|Benzaldehyde, 4-hydroxy-|p-Oxybenzaldehyde|Parahydroxybenzaldehyde|Benzaldehyde, p-hydroxy-|4-Hydroxy benzaldehyde|p-Hydroxy-benzaldehyde|Para-Hydroxybenzaldehyde|4-Hydroxybenzenecarbonal |
| Categories | Flavor enhancer |
| SMILES | C1=CC(=CC=C1C=O)O |
| InCheykey | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| 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 |
|---|---|---|---|---|
| 122.123 | 1 | 2 | 1 | 37.3 |
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 | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |