Pubchem ID | 519786 |
---|---|
CAS | 2050-01-3 |
IUPAC name | 3-methylbutyl 2-methylpropanoate |
Synonyms | Isobutyric Acid Isoamyl Ester|3-Methylbutyl 2-methylpropanoate|Propanoic acid, 2-methyl-, 3-methylbutyl ester|3-Methylbutyl isobutyrate |
Categories | Flavor enhancer |
SMILES | CC(C)CCOC(=O)C(C)C |
InCheykey | InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
158.241 | 0 | 2 | 5 | 26.3 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |