| Pubchem ID | 264 |
|---|---|
| CAS | 107-92-6 |
| IUPAC name | butanoic acid |
| Synonyms | Butanoic acid|n-Butyric acid|n-Butanoic acid|propylformic acid|ethylacetic acid|Butanic acid|1-propanecarboxylic acid|butyrate|1-Butyric acid|Buttersaeure|butanoate|Kyselina maselna|Butyric acid |Propanecarboxylic acid|1-butanoic acid |
| Categories | Antioxidant |
| SMILES | CCCC(=O)O |
| InCheykey | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 88.106 | 1 | 2 | 2 | 37.3 |
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 | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |