AromaDb: A Database of Plant's Aroma Molecules

Biso-tolyl disulfide Details

: IUPAC Name
Bis2-methylphenyldisulfideSafetyevaluationnotcompleted
:Chemical Class
:CAS Registry Number
4032-80-8
:Description

:Fragrance Type
burnt sugar

Physical and Chemical properties

PUBCHEM ID77652
Molecular Weight (mg/mol)246.398
Molecular FormulaC14H14S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC NameBis2-methylphenyldisulfideSafetyevaluationnotcompleted
Canonical SMILESCc1ccccc1SSc2ccccc2C
PUBCHEM IUPAC INCHIKEYZSSCTTQONPHGRA-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.511
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.957487
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 4032-80-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4032-80-8 Biso-tolyl disulfide

Compound Image


2D Structure

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