| Pubchem ID | 135 |
|---|---|
| CAS | 99-96-7 |
| IUPAC name | 4-hydroxybenzoic acid |
| Synonyms | 4-Carboxyphenol|Benzoic acid, 4-hydroxy-|p-Salicylic acid|para-Hydroxybenzoic acid|Benzoic acid, p-hydroxy-|4-Hydroxybenzoesaeure|4-hydroxy benzoic acid|p-Oxybenzoesaure |PHBA|4-hydroxy-benzoic acid|Paraben-acid|Kyselina 4-hydroxybenzoova|Kyselina 4-hydroxybenzoova |
| Categories | Flavor enhancer |
| SMILES | C1=CC(=CC=C1C(=O)O)O |
| InCheykey | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 138.122 | 2 | 3 | 1 | 57.5 |
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 | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |