AromaDb: A Database of Plant's Aroma Molecules

16-Heptadecenal Details

: IUPAC Name
heptadec-16-enal
:Chemical Class
Aldehyde
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID557527
Molecular Weight (mg/mol)252.435
Molecular FormulaC17H32O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
IUPAC Nameheptadec-16-enal
Canonical SMILESC=CCCCCCCCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEYJDOJVMJYUULLEN-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-4.341

Absorption and Metabolism information

XLOGP3 AA7.1
CACTVS TPSA17.1
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.48
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD505.2445 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
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 16-Heptadecenal

Compound Image


2D Structure

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