AromaDb: A Database of Plant's Aroma Molecules

Geranyl Acetate Details

: IUPAC Name
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
:Chemical Class
:CAS Registry Number
105-87-3
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID1549026
Molecular Weight (mg/mol)196.286
Molecular FormulaC12H20O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
Canonical SMILESC/C(C)=CCC/C(C)=C/COC(C)=O
PUBCHEM IUPAC INCHIKEYHIGQPQRQIQDZMP-DHZHZOJOSA-N
Solubility Level3
Vapour Pressure-1.597

Absorption and Metabolism information

XLOGP3 AA3.5
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.313
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 ToxicityNon-Toxic
Rat Oral LD506.21869 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesACSS2,BCL2,CASP3,NME1,CASP9

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
1 105-87-3
2 105-87-3
3 105-87-3
4 105-87-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 105-87-3 Geranyl Acetate

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Bergot mint Kiran Mentha citrata Kiran essential oil
2 Geranium Pelargonium roseum essential oil
3 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
4 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
5 Lemon grass Cymbopogan citratus essential oil
6 Cymbopogon Cymbopogon nardus essential oil
7 Hornem Ocimum ciliatum essential oil
8 Rose, Damask Rose Noorjahan Rosa damascena Noorjahan essential oil
9 Gum rockrose Cistus ladanifer essential oil
10 Gum rockrose Cistus ladanifer ESSENTIAL OIL
11 Myrtle Myrtus communis essential oil
12 Lemon balm Melissa officinalis essential oil
13 Snowbell styrax officinalis essential oil
14 Balinese Cananga odorata essential oil
15 Common hop Humulus lupulus essential oil
16 Bulgarian fir Abies borisii-regis essential oil
17 Abies cephalonica Abies cephalonica essential oil
18 silver fir Abies alba essential oil
19 Ginger Zingiber officinale essential oil
20 Lemon verbena Aloysia citrodora essential oil
21 Anethum graveolens Anethum graveolens essential oil
22 Bushkiller Cayratia japonica essential oil
23 Bushkiller Cayratia japonica essential oil
24 Coriandrum Sativum Coriandrum sativum essential oil
25 Coriandrum Sativum Coriandrum sativum essential oil
26 Wild carrot Daucus carota ssp. carota essential oil
27 Dracocephalum moldavica NA
28 Elsholtzia blanda Elsholtzia blanda essential oil

Compound Image


2D Structure

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(External database - ChemAxon)