Pubchem ID | 12780 |
---|---|
CAS | 699-17-2 |
IUPAC name | 4-(furan-2-yl)butan-2-one |
Synonyms | 4-(2-Furyl)butan-2-one|4-(furan-2-yl)butan-2-one|2-Butanone, 4-(2-furanyl)-|4-(2-Furyl)-2-butanone|Furfurylacetone |
Categories | Flavor enhancer |
SMILES | CC(=O)CCC1=CC=CO1 |
InCheykey | InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
138.166 | 0 | 2 | 3 | 30.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |