| Pubchem ID | 176 |
|---|---|
| CAS | 64-19-7 |
| IUPAC name | acetic acid |
| Synonyms | Ethanoic acid|Ethylic acid|Glacial acetic acid|Acetic acid, glacial|Methanecarboxylic acid|Acetic acid glacial|Vinegar acid|Acetasol|Essigsaeure|Acide acetique|Aci-jel|Azijnzuur|Vinegar|Kyselina octova|Acido acetico|Ethanoic acid monomer|acetyl alcohol|Essigsaeure |ethoic acid|Otic Tridesilon |
| Categories | Antimicrobial agent |
| SMILES | CC(=O)O |
| InCheykey | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) |
| Natural | YES |
| E No. | E260 |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 60.052 | 1 | 2 | 0 | 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 | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |