Pubchem ID | 8499 |
---|---|
CAS | 121-98-2 |
IUPAC name | methyl 4-methoxybenzoate |
Synonyms | Methyl p-anisate|Methyl p-methoxybenzoate|4-Methoxybenzoic acid methyl ester|Benzoic acid, 4-methoxy-, methyl ester|p-Anisic acid, methyl ester|Methyl 4-Anisate|p-Methoxybenzoic acid methyl ester|p-Anisic acid methyl ester |
Categories | Flavor enhancer |
SMILES | COC1=CC=C(C=C1)C(=O)OC |
InCheykey | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
166.176 | 0 | 3 | 3 | 35.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Non-Irritant | Degradable |