Pubchem ID | 6590 |
---|---|
CAS | 79-31-2 |
IUPAC name | 2-methylpropanoic acid |
Synonyms | 2-Methylpropanoic acid|Isobutanoic acid|2-Methylpropionic acid|Propanoic acid, 2-methyl-|Dimethylacetic acid|Isopropylformic acid|Iso-butyric acid|Isobutyrate |
Categories | Flavor enhancer |
SMILES | CC(C)C(=O)O |
InCheykey | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
88.106 | 1 | 2 | 1 | 37.3 |
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 | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |