Pubchem ID | 81221 |
---|---|
CAS | 6738-23-4 |
IUPAC name | 1-methoxy-2,4-dimethylbenzene |
Synonyms | 1-Methoxy-2,4-dimethylbenzene|Benzene, 1-methoxy-2,4-dimethyl- |
Categories | Flavor enhancer |
SMILES | CC1=CC(=C(C=C1)OC)C |
InCheykey | InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
136.194 | 0 | 1 | 1 | 9.2 |
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 |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |