Pubchem ID | 517827 |
---|---|
CAS | 103-95-7 |
IUPAC name | 2-methyl-3-(4-propan-2-ylphenyl)propanal |
Synonyms | Cyclamen aldehyde|Cyclamal|3-(4-Isopropylphenyl)-2-methylpropanal|Aldehyde B |
Categories | Flavor enhancer |
SMILES | CC(C)C1=CC=C(C=C1)CC(C)C=O |
InCheykey | InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
190.286 | 0 | 1 | 4 | 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 | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |