Pubchem ID | 3085213 |
---|---|
CAS | 61114-24-7 |
IUPAC name | (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate |
Synonyms | 4-Allyl-2-methoxyphenyl isovalerate|2-methoxy-4-(prop-2-en-1-yl)phenyl 3-methylbutanoate |
Categories | Flavor enhancer |
SMILES | CC(C)CC(=O)OC1=C(C=C(C=C1)CC=C)OC |
InCheykey | InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
248.322 | 0 | 3 | 7 | 35.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | 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 | Irritant | Degradable |