| Pubchem ID | 12257 |
|---|---|
| CAS | 625-55-8 |
| IUPAC name | propan-2-yl formate |
| Synonyms | Formic acid, 1-methylethyl ester|Formic Acid Isopropyl Ester|1-Methylethyl formate|propan-2-yl formate|Formic acid, isopropyl ester|Isopropyl methanoate|Methylethyl formate|FEMA No. 2944 |
| Categories | Flavor enhancer |
| SMILES | CC(C)OC=O |
| InCheykey | InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,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 |
|---|---|---|---|---|
| 88.106 | 0 | 2 | 2 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |