AromaDb: A Database of Plant's Aroma Molecules

Decanol Details

: IUPAC Name
decan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
112-30-1
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID8174
Molecular Weight (mg/mol)158.281
Molecular FormulaC10H22O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
IUPAC Namedecan-1-ol
Canonical SMILESCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEYMWKFXSUHUHTGQN-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.07

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.707
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 ToxicityToxic
Rat Oral LD503.39081 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesFAR2, FAR1, AWAT2, AGPS, AWAT1

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
1 112-30-1 AKR1B8 Rattus norvegicus [AKR1B8 protein co-treated with NADP] affects the oxidation of n-decyl alcohol affects^cotreatment|affects^oxidation 18845131
2 112-30-1 AKR1B8 Rattus norvegicus [AKR1B8 protein co-treated with NADP] affects the oxidation of n-decyl alcohol affects^cotreatment|affects^oxidation 18845131
3 112-30-1 CFTR Homo sapiens n-decyl alcohol results in increased activity of CFTR protein increases^activity 14967738
4 112-30-1 CFTR Homo sapiens n-decyl alcohol results in increased activity of CFTR protein increases^activity 14967738
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-30-1 Decanol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Horsechestnut Aesculus hippocastanum essential oil
2 Snowbell styrax officinalis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)