| Pubchem ID | 16330 |
|---|---|
| CAS | 2052-14-4 |
| IUPAC name | butyl 2-hydroxybenzoate |
| Synonyms | Butyl 2-hydroxybenzoate|n-Butyl salicylate|Butyl O-hydroxybenzoate|n-Butyl o-hydroxybenzoate|Benzoic acid, 2-hydroxy-, butyl ester|Butyl hydroxybenzoate|Butyl (2-hydroxyphenyl)formate |
| Categories | Flavor enhancer |
| SMILES | CCCCOC(=O)C1=CC=CC=C1O |
| InCheykey | InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 194.23 | 1 | 3 | 5 | 46.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |