| Pubchem ID | 8158 |
|---|---|
| CAS | 112-05-0 |
| IUPAC name | nonanoic acid |
| Synonyms | Pelargonic acid|n-Nonanoic acid|Nonylic acid|Pelargic acid|Nonoic acid|n-Nonylic acid|n-Nonoic acid|1-Octanecarboxylic acid|Pelargon|Cirrasol 185A|Hexacid C-9|Emfac 1202|Nonanoate |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCC(=O)O |
| InCheykey | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
| 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 |
|---|---|---|---|---|
| 158.241 | 1 | 2 | 7 | 37.3 |
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 | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |