| Pubchem ID | 11614 |
|---|---|
| CAS | 592-84-7 |
| IUPAC name | butyl formate |
| Synonyms | Formic acid, butyl ester|n-Butyl formate|Butyl methanoate|n-Butyl methanoate|Formic acid butyl ester|Butylester kyseliny mravenci|FEMA No. 2196 |
| Categories | Flavor enhancer |
| SMILES | CCCCOC=O |
| InCheykey | InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3 |
| 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 |
|---|---|---|---|---|
| 102.133 | 0 | 2 | 4 | 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 | 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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |