| Pubchem ID | 7478 |
|---|---|
| CAS | 1335-08-6 |
| IUPAC name | 4-methoxybenzoic acid |
| Synonyms | p-Methoxybenzoic acid|4-Anisic acid|Draconic acid|Benzoic acid, 4-methoxy-|para-anisic acid|ANISIC ACID, PARA|P-Methoxy Benzoic Acid|Anisic acid, p-isomer|4-methoxy-benzoic acid|Kyselina 4-methoxybenzoova |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=C(C=C1)C(=O)O |
| InCheykey | InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| Natural | nan |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 152.149 | 1 | 3 | 2 | 46.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |