AromaDb: A Database of Plant's Aroma Molecules

Beta-Terpineol Details

: IUPAC Name
1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
:Chemical Class
:CAS Registry Number
138-87-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8748
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
Canonical SMILESC=C(C)C1CCC(C)(O)CC1
PUBCHEM IUPAC INCHIKEYRUJPNZNXGCHGID-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.259

Absorption and Metabolism information

XLOGP3 AA2.5
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.468
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD505.86855 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
1 138-87-4
2 138-87-4
3 138-87-4
4 138-87-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 138-87-4 Beta-Terpineol

Compound Image


2D Structure

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(External database - ChemAxon)