Pubchem ID | 7915 |
---|---|
CAS | 108-21-4 |
IUPAC name | propan-2-yl acetate |
Synonyms | 2-Propyl acetate|propan-2-yl acetate|Acetic acid, 1-methylethyl ester|2-Acetoxypropane|Isopropylacetat|Isopropyl ethanoate|Paracetat|Isopropylacetaat|1-Methylethyl acetate |
Categories | Flavor enhancer |
SMILES | CC(C)OC(=O)C |
InCheykey | InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
102.133 | 0 | 2 | 2 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |