Pubchem ID | 60990 |
---|---|
CAS | 99-72-9 |
IUPAC name | 2-(4-methylphenyl)propanal |
Synonyms | 2-(4-methylphenyl)propanal|2-(p-Tolyl)propanal|4-Methylhydratropaldehyde|p-Methylhydratropaldehyde|2-p-Tolylpropanal|2-(p-Tolyl)propionaldehyde|2-p-tolylpropionaldehyde|Hydratropaldehyde p-methyl- |
Categories | Flavor enhancer |
SMILES | CC1=CC=C(C=C1)C(C)C=O |
InCheykey | InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
148.205 | 0 | 1 | 2 | 17.1 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |