Food Additive Profile
Pubchem ID 62087
CAS 54812-86-1
IUPAC name 3-sulfanylbutan-2-ol
Synonyms -
Categories Flavor enhancer
SMILES CC(C(C)S)O
InCheykey InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,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
106.183 2 2 1 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 Non-Toxic Non-Mutagen Irritant Non-Irritant Irritant Degradable

References




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