AromaDb: A Database of Plant's Aroma Molecules

9-Octadecen-1-Ol Details

: IUPAC Name
(E)-octadec-9-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
:Description

:Fragrance Type
Fatty aroma

Physical and Chemical properties

PUBCHEM ID5367665
Molecular Weight (mg/mol)268.478
Molecular FormulaC18H36O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
IUPAC Name(E)-octadec-9-en-1-ol
Canonical SMILESCCCCCCCC/C=C/CCCCCCCCO
PUBCHEM IUPAC INCHIKEYALSTYHKOOCGGFT-MDZDMXLPSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level0
Absorption Level2
EXT PPB#Prediction1
AlogP986.912
EXT CYP2D6#Prediction1

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 LD506.3393 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 9-Octadecen-1-Ol

Compound Image


2D Structure

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(External database - ChemAxon)