AromaDb: A Database of Plant's Aroma Molecules

Pentadecanal Details

: IUPAC Name
pentadecanal
:Chemical Class
Aldehyde
:CAS Registry Number
09-11-65
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID17697
Molecular Weight (mg/mol)226.398
Molecular FormulaC15H30O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
IUPAC Namepentadecanal
Canonical SMILESCCCCCCCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEYXGQJZNCFDLXSIJ-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-3.12

Absorption and Metabolism information

XLOGP3 AA6.5
CACTVS TPSA17.1
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.958
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 LD508.35274 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesALDH8A1,ALDH1A2,PYGM,FAR2,FAR1,AWAT2,AGPS,AWAT1,GPR183,ALDH2,SLC6A2,IL6,STAT3,PTK2,PIK3CG,NFKBIA,OPRL1,MAPK3,CSN2

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 09-11-65 Pentadecanal

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)