AromaDb: A Database of Plant's Aroma Molecules

6,10,14-Trimethylpentadecan-2-one Details

: IUPAC Name
6,10,14-trimethylpentadecan-2-one
:Chemical Class
Ketone
:CAS Registry Number
502-69-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10408
Molecular Weight (mg/mol)268.478
Molecular FormulaC18H36O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
IUPAC Name6,10,14-trimethylpentadecan-2-one
Canonical SMILESCC(=O)CCCC(C)CCCC(C)CCCC(C)C
PUBCHEM IUPAC INCHIKEYWHWDWIHXSPCOKZ-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-3.665

Absorption and Metabolism information

XLOGP3 AA6.9
CACTVS TPSA17.1
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.336
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 LD506.46111 g/kg_body_weight
Ocular IrritancyNone
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 502-69-2 6,10,14-Trimethylpentadecan-2-one

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Star Thistle Honey Centaurea calcitrapa essential oil
2 Star Thistle Honey Centaurea calcitrapa essential oil

Compound Image


2D Structure

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(External database - ChemAxon)