Food Additive Profile
Pubchem ID 520144
CAS 24653-75-6
IUPAC name 1-sulfanylpropan-2-one
Synonyms 1-sulfanylpropan-2-one|Mercaptoacetone|2-Propanone, 1-mercapto-
Categories Flavor enhancer
SMILES CC(=O)CS
InCheykey InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
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
90.14 1 2 1 18.1

*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 Undefined Non - Inhibitor 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 Degradable

References




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