| Pubchem ID | 24699 |
|---|---|
| CAS | 31566-31-1 |
| IUPAC name | 2,3-dihydroxypropyl octadecanoate |
| Synonyms | Monostearin|1-Stearoyl-rac-glycerol|Glyceryl stearate|Tegin|Stearin, 1-mono-|Octadecanoic acid, 2,3-dihydroxypropyl ester |
| Categories | Emulsifier |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| InCheykey | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 358.563 | 2 | 4 | 20 | 66.8 |
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 |