Pubchem ID | 8468 |
---|---|
CAS | 121-34-6 |
IUPAC name | 4-hydroxy-3-methoxybenzoic acid |
Synonyms | Acide vanillique|Benzoic acid, 4-hydroxy-3-methoxy-|p-Vanillic acid|3-Methoxy-4-hydroxybenzoic acid|Vanillate|m-Anisic acid, 4-hydroxy-|Protocatechuic acid, 3-methyl ester |
Categories | Flavor enhancer |
SMILES | COC1=C(C=CC(=C1)C(=O)O)O |
InCheykey | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
168.148 | 2 | 4 | 2 | 66.8 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |