| Pubchem ID | 10795 |
|---|---|
| CAS | 534-15-6 |
| IUPAC name | 1,1-dimethoxyethane |
| Synonyms | 1-(4-Methylphenyl)ethanol|1-(p-Tolyl)ethanol|1-p-Tolylethanol|Bilagen|Norbilan|Tomobil|Galinex|Methyl-p-tolylcarbinol|p-Tolylmethylcarbinol|1-(4-Tolyl)ethanol|1-p-Tolyl-1-ethanol |
| Categories | Flavor enhancer |
| SMILES | CC(OC)OC |
| InCheykey | InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,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 |
|---|---|---|---|---|
| 90.122 | 0 | 2 | 2 | 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 | Weaker / Non binder | Undefined | 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 | Irritant | Degradable |