AromaDb: A Database of Plant's Aroma Molecules

Myrcenol Details

: IUPAC Name
2-methyl-6-methylideneoct-7-en-2-ol
:Chemical Class
:CAS Registry Number
543-39-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10975
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
IUPAC Name2-methyl-6-methylideneoct-7-en-2-ol
Canonical SMILESC=CC(=C)CCCC(C)(C)O
PUBCHEM IUPAC INCHIKEYDUNCVNHORHNONW-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.427

Absorption and Metabolism information

XLOGP3 AA3
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.586
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.31612 g/kg_body_weight
Ocular IrritancySevere
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
1 543-39-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 543-39-5 Myrcenol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Pitanga Eugenia uniflora essential oil

Compound Image


2D Structure

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(External database - ChemAxon)