Pubchem ID | 61417 |
---|---|
CAS | 7549-33-9 |
IUPAC name | (4-methoxyphenyl)methyl propanoate |
Synonyms | p-Methoxybenzyl propionate|Benzenemethanol, 4-methoxy-, propanoate|(4-methoxyphenyl)methyl propanoate|Benzyl alcohol, P-methoxy-, propionate|4-Methoxybenzenemethyl propanoate |
Categories | Flavor enhancer |
SMILES | CCC(=O)OCC1=CC=C(C=C1)OC |
InCheykey | InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
194.23 | 0 | 3 | 5 | 35.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | Medium | 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 |