| Pubchem ID | 22386 |
|---|---|
| CAS | 6032-29-7 |
| IUPAC name | pentan-2-ol |
| Synonyms | Pentan-2-ol|sec-Amyl alcohol|Methylpropylcarbinol|2-Pentyl alcohol|sec-Pentyl alcohol|Pentanol-2|2-Hydroxypentane|Methyl propyl carbinol|1-Methyl-1-butanol|Methylbutan-1-ol|alpha-Methylbutanol|1-Methylbutanol|Pentanol, sec- |
| Categories | Flavor enhancer |
| SMILES | CCCC(C)O |
| InCheykey | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 88.15 | 1 | 1 | 2 | 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 | Non 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 |