Food Additive Profile
Pubchem ID 16220107
CAS 41820-22-8
IUPAC name O-prop-2-enyl propanethioate
Synonyms -
Categories Flavor enhancer
SMILES CCC(=S)OCC=C
InCheykey InChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3
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
130.205 0 2 4 41.3

*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 High 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 Non-Irritant Degradable

References




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