Pubchem ID | 31225 |
---|---|
CAS | 122-70-3 |
IUPAC name | 2-phenylethyl propanoate |
Synonyms | Propanoic acid, 2-phenylethyl ester|2-Phenylethyl propanoate|Phenylethyl propionate|2-Phenethyl propionate|Benzylcarbinyl propionate |
Categories | Flavor enhancer |
SMILES | CCC(=O)OCCC1=CC=CC=C1 |
InCheykey | InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
178.231 | 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 | Binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |