| Pubchem ID | 6560 |
|---|---|
| CAS | 78-83-1 |
| IUPAC name | 2-methylpropan-1-ol |
| Synonyms | 2-Methyl-1-propanol|Isobutanol|2-Methylpropan-1-ol|1-Propanol, 2-methyl-|Iso-butyl alcohol|1-Hydroxymethylpropane|Isopropylcarbinol|i-Butyl alcohol|Isobutylalkohol|2-Methylpropyl alcohol |
| Categories | Flavor enhancer |
| SMILES | CC(C)CO |
| InCheykey | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 74.123 | 1 | 1 | 1 | 20.2 |
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 | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |