Food Additive Profile
Pubchem ID 548353
CAS 4532-64-3
IUPAC name butane-2,3-dithiol
Synonyms -
Categories Flavor enhancer
SMILES CC(C(C)S)S
InCheykey InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
Natural nan
E No. -
GHS Siginal Warning
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
122.244 2 2 1 2.0

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Moderate Absorption Optimal Solubility Weaker / Non binder High 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 Irritant Irritant Non-Degradable

References




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