Pubchem ID | 6435835 |
---|---|
CAS | 7493-80-3 |
IUPAC name | [(2Z)-2-benzylideneheptyl] 3-methylbutanoate |
Synonyms | Alpha-Pentylcinnamyl isovalerate |
Categories | Flavor enhancer |
SMILES | CCCCCC(=CC1=CC=CC=C1)COC(=O)CC(C)C |
InCheykey | InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14- |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
288.431 | 0 | 2 | 10 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |