| Pubchem ID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| IUPAC name | calcium;propanoate |
| Synonyms | Calcium dipropionate|Propanoic acid, calcium salt|Mycoban|Bioban-C|Propionic acid, calcium salt |
| Categories | Antimicrobial agent |
| SMILES | CCC(=O)[O-].CCC(=O)[O-].[Ca+2] |
| InCheykey | InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2 |
| Natural | nan |
| E No. | E282 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 186.22 | 0 | 4 | 0 | 80.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |