Food Additive Profile
Pubchem ID 46779104
CAS 852997-30-9
IUPAC name 3-methylsulfanylpropyl 2-sulfanylacetate
Synonyms -
Categories Flavor enhancer
SMILES CSCCCOC(=O)CS
InCheykey InChI=1S/C6H12O2S2/c1-10-4-2-3-8-6(7)5-9/h9H,2-5H2,1H3
Natural nan
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
180.28 1 4 6 52.6

*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 Optimal Solubility Weaker / Non binder Medium Non - Inhibitor Non 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 Non-Irritant Irritant Degradable

References




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