| Pubchem ID | 8255 |
|---|---|
| CAS | 9003-27-4 |
| IUPAC name | 2-methylprop-1-ene |
| Synonyms | Isobutene|2-Methylpropene|2-methylprop-1-ene|115-11-7|2-Methylpropylene|1-Propene, 2-methyl-|2-Methyl-1-propene|1,1-Dimethylethylene|Isopropylidenemethylene |
| Categories | Masticatory substance |
| SMILES | CC(=C)C |
| InCheykey | InChI=1S/C4H8/c1-4(2)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 |
|---|---|---|---|---|
| 56.108 | 0 | 0 | 0 | 0.0 |
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 | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |