| Pubchem ID | 74008 |
|---|---|
| CAS | 4996-48-9 |
| IUPAC name | pentyl furan-2-carboxylate |
| Synonyms | Pentyl furoate|Pentyl 2-furoate|Amyl furoate|Furancarboxylic acid, pentyl ester|pentyl furan-2-carboxylate|2-Furoic acid, pentyl ester|Pentyl 2-furancarboxylate|Amyl furan-2-carboxylateFEMA 2072 |
| Categories | Flavor enhancer |
| SMILES | CCCCCOC(=O)C1=CC=CO1 |
| InCheykey | InChI=1S/C10H14O3/c1-2-3-4-7-13-10(11)9-6-5-8-12-9/h5-6,8H,2-4,7H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | 0-0.5 mg/kg bw |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 182.219 | 0 | 3 | 6 | 39.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | High | 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 | Non-Irritant | Non-Irritant | Degradable |