Food Additive Profile
Pubchem ID 65290
CAS 43040-01-3
IUPAC name 3-methyl-1,2,4-trithiane
Synonyms -
Categories Flavor enhancer
SMILES CC1SCCSS1
InCheykey InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3
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
152.288 0 3 0 75.9

*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 Slightly Soluble 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
Non-Carcinogen Non-Toxic Non-Mutagen Irritant Non-Irritant Irritant Non-Degradable

References




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