AromaDb: A Database of Plant's Aroma Molecules

4,5-Dimethyl-2-ethyl-3-thiazoline Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
sweet-rosey aroma

Physical and Chemical properties

PUBCHEM ID5362584
Molecular Weight (mg/mol)143.254
Molecular FormulaC7H13NS
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCC[C@H]1/N=C(C)[C@@H](C)S1
PUBCHEM IUPAC INCHIKEYCSACPVARWHDAET-RQJHMYQMSA-N
Solubility Level3
Vapour Pressure-0.477

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA53.6
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.753
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.400349
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4,5-Dimethyl-2-ethyl-3-thiazoline

Compound Image


2D Structure

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