| Pubchem ID | 16610 |
|---|---|
| CAS | 6107-56-8 |
| IUPAC name | calcium;octanoate |
| Synonyms | Octanoic acid, calcium salt|Cadmium octoate|calcium caprylate|Calcium di(octanoate)|Cadmium caprylate |
| Categories | Anticaking agent |
| SMILES | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2] |
| InCheykey | InChI=1S/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2 |
| 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 |
|---|---|---|---|---|
| 326.49 | 0 | 4 | 10 | 80.3 |
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 | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |