| Pubchem ID | 10722 |
|---|---|
| CAS | 1334-78-7 |
| IUPAC name | 2-methylbenzaldehyde |
| Synonyms | 2-Methylbenzaldehyde|2-Tolualdehyde|2-Formyltoluene|o-Toluylaldehyde|o-Toluic aldehyde|o-Tolylaldehyde|o-Methylbenzaldehyde|2-Methyl-Benzaldehyde|Benzaldehyde, 2-methyl-|o-Methylbenazldehyde|Toluic aldehyde |
| Categories | Flavor enhancer |
| SMILES | CC1=CC=CC=C1C=O |
| InCheykey | InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 |
| 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 |
|---|---|---|---|---|
| 120.151 | 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 | Slightly Soluble | 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 |