| Pubchem ID | 196 |
|---|---|
| CAS | 124-04-9 |
| IUPAC name | hexanedioic acid |
| Synonyms | Hexanedioic acid|Adipinic acid|adipate|1,4-Butanedicarboxylic acid|Adilactetten|Acifloctin|Acinetten|1,6-Hexanedioic acid |
| Categories | Flavor enhancer |
| SMILES | C(CCC(=O)O)CC(=O)O |
| InCheykey | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| Natural | YES |
| E No. | E355 |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 146.142 | 2 | 4 | 5 | 74.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | 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 | Non-Irritant | Non-Irritant | Irritant | Degradable |