AromaDb: A Database of Plant's Aroma Molecules

8-Acetylthio-p-menthan-3-one Details

: IUPAC Name
Menthone-8-thioacetate
:Chemical Class
:CAS Registry Number
145212-89-1
:Description

:Fragrance Type
minty??

Physical and Chemical properties

PUBCHEM ID92649
Molecular Weight (mg/mol)228.358
Molecular FormulaC12H20O2S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC NameMenthone-8-thioacetate
Canonical SMILESCC(=O)SC(C)(C)[C@H]1CC[C@H](C)CC1=O
PUBCHEM IUPAC INCHIKEYAMXPURQVAMENCC-WPRPVWTQSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.457
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.86928
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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 145212-89-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 145212-89-1 8-Acetylthio-p-menthan-3-one

Compound Image


2D Structure

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