Food Additive Profile
Pubchem ID 650
CAS 431-03-8
IUPAC name butane-2,3-dione
Synonyms 2,3-butanedione
Categories Flavor enhancer
SMILES CC(=O)C(=O)C
InCheykey InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Natural YES
E No. E472e
GHS Siginal Danger
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
86.09 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 Optimal Solubility 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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