| Pubchem ID | 14425 |
|---|---|
| CAS | 1166-52-5 |
| IUPAC name | dodecyl 3,4,5-trihydroxybenzoate |
| Synonyms | Lauryl gallate|Dodecyl 3,4,5-trihydroxybenzoate|Nipagallin LA|Progallin LA|Gallic acid, dodecyl ester|Gallic acid, lauryl ester |
| Categories | Antioxidant |
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InCheykey | InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 |
| Natural | nan |
| E No. | E312 |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 338.444 | 3 | 5 | 13 | 87.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Low Solubility | Weaker / Non binder | Undefined | 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 |