Pubchem ID | 112733 |
---|---|
CAS | 61810-55-7 |
IUPAC name | 2-phenylethyl decanoate |
Synonyms | Phenethyl decanoate|2-Phenylethyl decanoate|Decanoic acid, 2-phenylethyl ester|Phenylethyl N-decanoate|Decanoic acid phenethyl ester |
Categories | Flavor enhancer |
SMILES | CCCCCCCCCC(=O)OCCC1=CC=CC=C1 |
InCheykey | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
276.42 | 0 | 2 | 12 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate 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 |