| Pubchem ID | 11612014 |
|---|---|
| CAS | 1337-33-3 |
| IUPAC name | 2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioic acid |
| Synonyms | Citric acid, octadecyl ester|1-stearyl estercitric acid |
| Categories | Antioxidant |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O |
| InCheykey | InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29) |
| Natural | nan |
| E No. | E484 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 444.609 | 3 | 7 | 23 | 121.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Slightly Soluble | 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 | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |