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 | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
102.133 | 0 | 2 | 4 | 26.3 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |