Pubchem ID | 6536998 |
---|---|
CAS | 7493-78-9 |
IUPAC name | [(2E)-2-benzylideneheptyl] acetate |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CCCCCC(=CC1=CC=CC=C1)COC(=O)C |
InCheykey | InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12+ |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
246.35 | 0 | 2 | 8 | 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 | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |