Food Additive Profile
Pubchem ID 6430892
CAS 227456-33-9
IUPAC name 2-methyl-3-sulfanylbutan-1-ol
Synonyms -
Categories Flavor enhancer
SMILES CC(CO)C(C)S
InCheykey InChI=1S/C5H12OS/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
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
120.21 2 2 2 21.2

*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 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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