AromaDb: A Database of Plant's Aroma Molecules

Geranyl Formate Details

: IUPAC Name
[(2E)-3,7-dimethylocta-2,6-dienyl] formate
:Chemical Class
:CAS Registry Number
105-86-2
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID5282109
Molecular Weight (mg/mol)182.259
Molecular FormulaC11H18O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] formate
Canonical SMILESC/C(C)=CCC/C(C)=C/COC=O
PUBCHEM IUPAC INCHIKEYFQMZVFJYMPNUCT-YRNVUSSQSA-N
Solubility Level3
Vapour Pressure-1.187

Absorption and Metabolism information

XLOGP3 AA3.5
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.234
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD508.20968 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
1 105-86-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 105-86-2 Geranyl Formate

Compound Image


2D Structure

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(External database - ChemAxon)