| Pubchem ID | 22692 |
|---|---|
| CAS | 6283-92-7 |
| IUPAC name | dodecyl 2-hydroxypropanoate |
| Synonyms | Cyclochem LVL|Ceraphyl 31|Propanoic acid, 2-hydroxy-, dodecyl ester|Dodecyl 2-hydroxypropanoate|Lactic acid, dodecyl ester |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCCCCOC(=O)C(C)O |
| InCheykey | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 258.402 | 1 | 3 | 13 | 46.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |