| Pubchem ID | 240 |
|---|---|
| CAS | 100-52-7 |
| IUPAC name | benzaldehyde |
| Synonyms | Benzoic aldehyde|Phenylmethanal|Benzenecarbonal|Benzenecarboxaldehyde|Artificial almond oil|Benzenemethylal|Benzaldehyde FFC|Benzene carbaldehyde|Oil Of bitter almond|Benzene carboxaldehyde|Almond artificial essential oil|benzanoaldehyde|Benzylaldehyde|Benzoyl hydride |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)C=O |
| InCheykey | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | 0-5 mg/kg bw |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 106.124 | 0 | 1 | 1 | 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 | Optimal Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |