Food Additive Profile
Pubchem ID 880
CAS 78-98-8
IUPAC name 2-oxopropanal
Synonyms Methylglyoxal|pyruvic aldehyde|2-Oxopropanal
Categories Flavor enhancer
SMILES CC(=O)C=O
InCheykey InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
Natural YES
E No. -
GHS Siginal -
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
72.063 0 2 1 34.1

*Prediction Method

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 Low Non - Inhibitor Toxic

*Prediction Method

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

References




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