Pubchem ID | 62098 |
---|---|
CAS | 55418-52-5 |
IUPAC name | 4-(1,3-benzodioxol-5-yl)butan-2-one |
Synonyms | Piperonylacetone|4-(3,4-Methylenedioxyphenyl)-2-butanone|4-(1,3-Benzodioxol-5-yl)butan-2-one|4-(1,3-Benzodioxol-5-yl)-2-butanone|2-Butanone, 4-(1,3-benzodioxol-5-yl)- |
Categories | Flavor enhancer |
SMILES | CC(=O)CCC1=CC2=C(C=C1)OCO2 |
InCheykey | InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
192.214 | 0 | 3 | 3 | 35.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |