| Pubchem ID | 7765 |
|---|---|
| CAS | 105-57-7 |
| IUPAC name | 1,1-diethoxyethane |
| Synonyms | Diethyl acetal|Acetaldehyde diethyl acetal|Ethane, 1,1-diethoxy-|Diaethylacetal|Diethylacetal|Acetale|Ethylidene diethyl ether|Acetal diethylique|Ethane, diethoxy-|1,1-Dietossietano|Acetaal|1,1-Diethoxy-ethaan |
| Categories | Flavor enhancer |
| SMILES | CCOC(C)OCC |
| InCheykey | InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 118.176 | 0 | 2 | 4 | 18.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |