AromaDb: A Database of Plant's Aroma Molecules

Myrtenol Details

: IUPAC Name
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol
:Chemical Class
:CAS Registry Number
515-00-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10582
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol
Canonical SMILESCC1(C)C2C/C=C(CO)C1C2
PUBCHEM IUPAC INCHIKEYRXBQNMWIQKOSCS-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.32

Absorption and Metabolism information

XLOGP3 AA1.6
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.782
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.34348 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
1 515-00-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 515-00-4 Myrtenol

Compound Image


2D Structure

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(External database - ChemAxon)