Pubchem ID | 999 |
---|---|
CAS | 103-82-2 |
IUPAC name | 2-phenylacetic acid |
Synonyms | Benzeneacetic acid|2-Phenylacetic acid|alpha-Toluic acid|phenylacetate|Benzenacetic acid|Acetic acid, phenyl-|Benzylformic acid|Phenyllacetic acid|Benzylcarboxylic acid |
Categories | Flavor enhancer |
SMILES | C1=CC=C(C=C1)CC(=O)O |
InCheykey | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
136.15 | 1 | 2 | 2 | 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 | Binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |