| Pubchem ID | 517055 |
|---|---|
| CAS | 532-32-1 |
| IUPAC name | sodium;benzoate |
| Synonyms | Benzoic acid, sodium salt|Sobenate|Antimol|Benzoic acid sodium salt|Benzoate sodium|Benzoate of soda|Benzoate, sodium|Natrium benzoicum|FEMA No. 3025 |
| Categories | Antimicrobial agent |
| SMILES | C1=CC=C(C=C1)C(=O)[O-].[Na+] |
| InCheykey | InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1 |
| Natural | nan |
| E No. | E211 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 144.105 | 0 | 2 | 1 | 40.1 |
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 | Irritant | Irritant | Irritant | Non-Degradable |