| Pubchem ID | 5281 |
|---|---|
| CAS | 57-11-4 |
| IUPAC name | octadecanoic acid |
| Synonyms | Octadecanoic acid|Stearophanic acid|n-Octadecanoic acid|Cetylacetic acid|Pearl stearic|Stearex Beads|Stearinsaeure|Octadecansaeure|Vanicol|Century 1240|1-Heptadecanecarboxylic acid|Industrene R|Glycon TP|Glycon DP |
| Categories | Emulsifier |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O |
| InCheykey | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
| 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 |
|---|---|---|---|---|
| 284.484 | 1 | 2 | 16 | 37.3 |
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 |