AromaDb: A Database of Plant's Aroma Molecules

Piperitenone Oxide Details

: IUPAC Name
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
:Chemical Class
:CAS Registry Number
90582-88-0
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID525915
Molecular Weight (mg/mol)166.217
Molecular FormulaC10H14O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
Canonical SMILESC=C(C)C2CCC1(C)OC1C2=O
PUBCHEM IUPAC INCHIKEYPGNRDRLKFUESIU-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.647

Absorption and Metabolism information

XLOGP3 AA1.9
CACTVS TPSA29.6
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.506
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 LD500.889729 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 90582-88-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 90582-88-0 Piperitenone Oxide

Compound Image


2D Structure

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(External database - ChemAxon)