Pubchem ID | 539829 |
---|---|
CAS | 20665-85-4 |
IUPAC name | (4-formyl-2-methoxyphenyl) 2-methylpropanoate |
Synonyms | 4-Formyl-2-methoxyphenyl isobutyrate|Isobutavan |
Categories | Flavor enhancer |
SMILES | CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OC |
InCheykey | InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
222.24 | 0 | 4 | 5 | 52.6 |
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 | Irritant | Degradable |