| Pubchem ID | 6658 |
|---|---|
| CAS | 80-62-6 |
| IUPAC name | methyl 2-methylprop-2-enoate |
| Synonyms | Methylmethacrylate|Methacrylic acid methyl ester|Methyl methylacrylate|Methyl 2-methylpropenoate|methyl 2-methylprop-2-enoate|Pegalan|Methyl-methacrylat |
| Categories | Flavor enhancer |
| SMILES | CC(=C)C(=O)OC |
| InCheykey | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 |
| 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 |
|---|---|---|---|---|
| 100.117 | 0 | 2 | 2 | 26.3 |
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 |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |