AromaDb: A Database of Plant's Aroma Molecules

Butyl propyl disulfide Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
72437-64-0
:Description

:Fragrance Type
Sulphureous aroma??????

Physical and Chemical properties

PUBCHEM ID522458
Molecular Weight (mg/mol)164.337
Molecular FormulaC7H16S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCCCCSSCCC
PUBCHEM IUPAC INCHIKEYVITWKRWSBFUVDT-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.703

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction0
AlogP983.586
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.50911
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 72437-64-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 72437-64-0 Butyl propyl disulfide

Compound Image


2D Structure

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