AromaDb: A Database of Plant's Aroma Molecules

Geranyl Linalool Details

: IUPAC Name
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
:Chemical Class
:CAS Registry Number
1113-21-9
:Description

:Fragrance Type
pine apple

Physical and Chemical properties

PUBCHEM ID5365872
Molecular Weight (mg/mol)290.483
Molecular FormulaC20H34O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
IUPAC Name(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
Canonical SMILESC=CC(C)(O)CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYIQDXAJNQKSIPGB-HQSZAHFGSA-N
Solubility Level2
Vapour Pressure-4.814

Absorption and Metabolism information

XLOGP3 AA6.4
CACTVS TPSA20.2
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.388
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 LD504.55683 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesHMGCR, TP53, SREBF2, DRD1, DRD2

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
1 1113-21-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1113-21-9 Geranyl Linalool

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Papaya Carica papaya essential oil
2 Papaya Carica papaya essential oil

Compound Image


2D Structure

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(External database - ChemAxon)