Pubchem ID | 243675 |
---|---|
CAS | 6963-56-0 |
IUPAC name | (4-methoxyphenyl)methyl butanoate |
Synonyms | (4-Methoxyphenyl)methyl butanoate|Butanoic acid, (4-methoxyphenyl)methyl ester|4-Methoxybenzyl butyrate |
Categories | Flavor enhancer |
SMILES | CCCC(=O)OCC1=CC=C(C=C1)OC |
InCheykey | InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
208.257 | 0 | 3 | 6 | 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 | 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 |