Pubchem ID | 229888 |
---|---|
CAS | 5457-70-5 |
IUPAC name | 2-phenylethyl octanoate |
Synonyms | 2-Phenylethyl octanoate|\Phenylethyl octanoate|Octanoic acid, 2-phenylethyl ester|Octanoic acid, phenethyl ester|2-Phenethyl octanoate|2-Phenylethyl caprylate |
Categories | Flavor enhancer |
SMILES | CCCCCCCC(=O)OCCC1=CC=CC=C1 |
InCheykey | InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
248.366 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |