| Pubchem ID | 311 |
|---|---|
| CAS | 77-92-9 |
| IUPAC name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Synonyms | 2-hydroxypropane-1,2,3-tricarboxylic acid|Citric acid, anhydrous|Anhydrous citric acid|Citro|Citretten|Aciletten|Chemfill|Hydrocerol A|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|Kyselina citronova|2-hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxytricarballylic acid|Citric acid anhydrous |
| Categories | Antimicrobial agent |
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InCheykey | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Natural | YES |
| E No. | E330 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 192.123 | 4 | 7 | 5 | 132.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Too Soluble | Weaker / Non binder | Undefined | 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 | Irritant | Degradable |