Pubchem ID | 16299 |
---|---|
CAS | 2050-08-0 |
IUPAC name | pentyl 2-hydroxybenzoate |
Synonyms | Pentyl salicylate|Pentyl 2-hydroxybenzoate|Benzoic acid, 2-hydroxy-, pentyl ester|N-Amyl salicylate|Amylester kyseliny salicylove |
Categories | Flavor enhancer |
SMILES | CCCCCOC(=O)C1=CC=CC=C1O |
InCheykey | InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
208.257 | 1 | 3 | 6 | 46.5 |
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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |