| Pubchem ID | 19756016 |
|---|---|
| CAS | 1338-09-6 |
| IUPAC name | [3-hexadecanoyloxy-2-(2-hydroxypropanoyloxy)propyl] hexadecanoate |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)O |
| InCheykey | InChI=1S/C38H72O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(40)43-32-35(45-38(42)34(3)39)33-44-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-35,39H,4-33H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 640.987 | 1 | 7 | 37 | 99.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Low Solubility | 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 |