AromaDb: A Database of Plant's Aroma Molecules

7-Decen-5-Olide Details

: IUPAC Name
6-[(E)-pent-2-enyl]oxan-2-one
:Chemical Class
Ketone
:CAS Registry Number
:Description

:Fragrance Type
jasmin

Physical and Chemical properties

PUBCHEM ID6438070
Molecular Weight (mg/mol)168.233
Molecular FormulaC10H16O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC Name6-[(E)-pent-2-enyl]oxan-2-one
Canonical SMILESCC/C=C/CC1CCCC(=O)O1
PUBCHEM IUPAC INCHIKEYXPPALVZZCMPTIV-ONEGZZNKSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA2.4
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.557
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 ToxicityNon-Toxic
Rat Oral LD504.24469 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7-Decen-5-Olide

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Rajanigandha Polianthes tuberosa essential oil

Compound Image


2D Structure

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(External database - ChemAxon)