| Pubchem ID | 3086 |
|---|---|
| CAS | 877-60-1 |
| IUPAC name | methoxycarbonyl methyl carbonate |
| Synonyms | Velcorin|Dimethyl pyrocarbonate|Dicarbonic acid, dimethyl ester|Methyl pyrocarbonate|Dimethyl oxydiformate|Pyrocarbonic acid dimethyl ester|Formic acid, oxydi-, dimethyl ester |
| Categories | Flavor enhancer |
| SMILES | COC(=O)OC(=O)OC |
| InCheykey | InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3 |
| Natural | nan |
| E No. | E242 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 134.087 | 0 | 5 | 4 | 61.8 |
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 | Weaker / Non binder | Low | 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 |