AromaDb: A Database of Plant's Aroma Molecules

9-Acetoxy-1-p-menthene Details

: IUPAC Name
1-p-Menthen-9-ylacetate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
spicy

Physical and Chemical properties

PUBCHEM ID527144
Molecular Weight (mg/mol)196.292
Molecular FormulaC12H20O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
IUPAC Name1-p-Menthen-9-ylacetate
Canonical SMILESCC(=O)OC[C@@H](C)[C@@H]1C/C=C(C)CC1
PUBCHEM IUPAC INCHIKEYQUHIXSUMNSRNNP-ZYHUDNBSSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA35.53
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.919
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.1577
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 9-Acetoxy-1-p-menthene

Compound Image


2D Structure

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