| Pubchem ID | 985 |
|---|---|
| CAS | 57-10-3 |
| IUPAC name | hexadecanoic acid |
| Synonyms | Hexadecanoic acid|Cetylic acid|palmitate|n-Hexadecanoic acid|Hexadecylic acid|Hydrofol|n-Hexadecoic acid|1-Pentadecanecarboxylic acid|Pentadecanecarboxylic acid |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCCCCCCCC(=O)O |
| InCheykey | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) |
| 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 |
|---|---|---|---|---|
| 256.43 | 1 | 2 | 14 | 37.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Low Solubility | Binder | Very High | 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 |