Pubchem ID | 5273467 |
---|---|
CAS | 7779-65-9 |
IUPAC name | 3-methylbutyl (E)-3-phenylprop-2-enoate |
Synonyms | Isopentyl 3-phenylacrylate|Isoamyl beta-phenylacrylate|Isoamyl 3-phenyl propenoate|Isoamyl cinnamate |Isopentyl alcohol, cinnamate|Isopentyl 3-phenylpropenoate |
Categories | Flavor enhancer |
SMILES | CC(C)CCOC(=O)C=CC1=CC=CC=C1 |
InCheykey | InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+ |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
218.296 | 0 | 2 | 6 | 26.3 |
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 |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |