AromaDb: A Database of Plant's Aroma Molecules

Geranyl Hexanoate Details

: IUPAC Name
[(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate
:Chemical Class
:CAS Registry Number
10032-02-7
:Description

:Fragrance Type
pine apple

Physical and Chemical properties

PUBCHEM ID5365992
Molecular Weight (mg/mol)252.392
Molecular FormulaC16H28O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate
Canonical SMILESCCCCCC(=O)OC/C=C(C)/CC/C=C(C)C
PUBCHEM IUPAC INCHIKEYARVSCQUZFFSNKF-NTCAYCPXSA-N
Solubility Level2
Vapour Pressure-3.145

Absorption and Metabolism information

XLOGP3 AA5.4
CACTVS TPSA26.3
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.348
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.92739 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 10032-02-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 10032-02-7 Geranyl Hexanoate

Compound Image


2D Structure

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