Pubchem ID | 7519 |
---|---|
CAS | 100-66-3 |
IUPAC name | anisole |
Synonyms | Methoxybenzene|Methyl phenyl ether|Benzene, methoxy-|Anisol|Phenyl methyl ether|Phenoxymethane|Anizol|Phenol methyl ether|Methoxy-Benzene|4-methoxybenzene|Benzene, methoxy |
Categories | Flavor enhancer |
SMILES | COC1=CC=CC=C1 |
InCheykey | InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
108.14 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |