Pubchem ID | 43046 |
---|---|
CAS | 59558-23-5 |
IUPAC name | (4-methylphenyl) octanoate |
Synonyms | p-Cresyl octanoate|p-Cresyl caprylate|4-Methylphenyl octanoate|p-Tolyl n-octanoate|n-Octanoic acid p-tolyl ester|Narcissin K|Octanoic acid, 4-methylphenyl ester |
Categories | Flavor enhancer |
SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)C |
InCheykey | InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
234.339 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |