AromaDb: A Database of Plant's Aroma Molecules

Lavandulol Details

: IUPAC Name
5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
:Chemical Class
:CAS Registry Number
58461-27-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID94060
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
Canonical SMILESC=C(C)C(CO)C/C=C(C)/C
PUBCHEM IUPAC INCHIKEYCZVXBFUKBZRMKR-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.462

Absorption and Metabolism information

XLOGP3 AA3
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.716
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 LD501.23032 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 58461-27-1
2 58461-27-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 58461-27-1 Lavandulol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)