AromaDb: A Database of Plant's Aroma Molecules

3-Cyclohexen-1-ol Details

: IUPAC Name
cyclohex-3-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
822-66-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID556685
Molecular Weight (mg/mol)98.143
Molecular FormulaC6H10O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Namecyclohex-3-en-1-ol
Canonical SMILESOC1C/C=CCC1
PUBCHEM IUPAC INCHIKEYABZZOPIABWYXSN-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.513

Absorption and Metabolism information

XLOGP3 AA1.1
CACTVS TPSA20.2
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.055
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.78215 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Severe
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 822-66-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 822-66-2 3-Cyclohexen-1-ol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Mulethi Mishri Glucyrrhiza glabra mulethi essential oil
2 Pistachio Pistacia vera essential oil

Compound Image


2D Structure

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(External database - ChemAxon)