Food Additive Profile
Pubchem ID 670
CAS 96-26-4
IUPAC name 1,3-dihydroxypropan-2-one
Synonyms -
Categories Flavor enhancer
SMILES C(C(=O)CO)O
InCheykey InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
Natural nan
E No. -
GHS Siginal Warning
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
90.078 2 3 2 57.5

*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 Undefined Non - Inhibitor Non Toxic

*Prediction Method

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

References




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