| Pubchem ID | 23670519 |
|---|---|
| CAS | 100743-68-8 |
| IUPAC name | potassium;2-(2-ethoxyethoxy)propanoate |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CCOCCOC(C)C(=O)[O-].[K+] |
| InCheykey | InChI=1S/C7H14O4.K/c1-3-10-4-5-11-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 200.275 | 0 | 4 | 6 | 58.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate 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 | Non-Irritant | Irritant | Degradable |