| Pubchem ID | 8299 |
|---|---|
| CAS | 116-09-6 |
| IUPAC name | 1-hydroxypropan-2-one |
| Synonyms | 1-hydroxypropan-2-one|2-Propanone, 1-hydroxy-|1-Hydroxy-2-propanone|Acetone alcohol|1-Hydroxyacetone|Methanol, acetyl-|Acetylmethanol|ACETYLCARBINOL|2-Oxopropanol|Hydroxy-2-propanone|Pyruvinalcohol|Methylketol|Hydroxypropanone|Pyruvic alcohol|monohydroxyacetone|Hydroxymethyl methyl ketone |
| Categories | Flavor enhancer |
| SMILES | CC(=O)CO |
| InCheykey | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 |
| 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 |
|---|---|---|---|---|
| 74.079 | 1 | 2 | 1 | 37.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |