2-acetyl-4-isopropenylpyridine

Food Additive Profile
Pubchem ID 529344
CAS 142896-11-5
IUPAC name 1-(4-prop-1-en-2-ylpyridin-2-yl)ethanone
Synonyms -
Categories Flavor enhancer
SMILES CC(=C)C1=CC(=NC=C1)C(=O)C
InCheykey InChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3
Natural YES
E No. -
GHS Siginal -
ADI Value -
Download 3D Conformer :
SDF JSON

                    

Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
161.204 0 2 2 30.0

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Good Absorption Slightly Soluble Weaker / Non binder Medium Non - Inhibitor Non Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Non-Carcinogen Non-Toxic Non-Mutagen Irritant Irritant Irritant Non-Degradable

References

External Links
Resources
  1. PubChem
  2. FDA U.S.Food & Drug Administration



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