Pubchem ID | 80354 |
---|---|
CAS | 6221-93-8 |
IUPAC name | dodecyl propanoate |
Synonyms | Lauryl propionate|dodecyl propanoate|Propanoic acid, dodecyl ester|n-Dodecyl propanoate|Propionic acid, dodecyl ester|Propionic acid, laurinyl ester |
Categories | Flavor enhancer |
SMILES | CCCCCCCCCCCCOC(=O)CC |
InCheykey | InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
242.403 | 0 | 2 | 13 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |