| Pubchem ID | 6998 |
|---|---|
| CAS | 90-02-8 |
| IUPAC name | 2-hydroxybenzaldehyde |
| Synonyms | 2-Hydroxybenzaldehyde|o-Hydroxybenzaldehyde|o-Formylphenol|Salicylal|Benzaldehyde, 2-hydroxy-|2-Formylphenol|Salicylic aldehyde|Salicyladehyde |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C(=C1)C=O)O |
| InCheykey | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/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 | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |