| Pubchem ID | 10957 |
|---|---|
| CAS | 542-55-2 |
| IUPAC name | 2-methylpropyl formate |
| Synonyms | 2-Methylpropyl formate|Formic acid, 2-methylpropyl ester|Tetryl formate|Isobutyl methanoate|Iso-butyl formate|Formic acid, isobutyl ester|Isobutyl methanote|2-Methyl-1-propyl formate|Isobutyl formate |
| Categories | Flavor enhancer |
| SMILES | CC(C)COC=O |
| InCheykey | InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 102.133 | 0 | 2 | 3 | 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 | 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 |