Food Additive Profile
Pubchem ID 57509241
CAS 233665-98-0
IUPAC name ethyl 5-methylsulfanylpentanoate
Synonyms -
Categories Flavor enhancer
SMILES CCOC(=O)CCCCSC
InCheykey InChI=1S/C8H16O2S/c1-3-10-8(9)6-4-5-7-11-2/h3-7H2,1-2H3
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
176.274 0 3 7 51.6

*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 High 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 Non-Irritant Degradable

References




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