| Pubchem ID | 23535 |
|---|---|
| CAS | 7149-26-0 |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate |
| Synonyms | Anthranilic acid, linalyl ester|Linalyl O-aminobenzoate|Linalyl 2-aminobenzoate |
| Categories | Flavor enhancer |
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C |
| InCheykey | InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 273.376 | 1 | 3 | 7 | 52.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Non-Irritant | Degradable |