AromaDb: A Database of Plant's Aroma Molecules

Cadalene Details

: IUPAC Name
1,6-dimethyl-4-propan-2-ylnaphthalene
:Chemical Class
Sesquiterpene
:CAS Registry Number
483-78-3
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10225
Molecular Weight (mg/mol)198.303
Molecular FormulaC15H18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name1,6-dimethyl-4-propan-2-ylnaphthalene
Canonical SMILESCc2ccc1c(C)ccc(C(C)C)c1c2
PUBCHEM IUPAC INCHIKEYVMOJIHDTVZTGDO-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure-2.77

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP984.904
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.375099 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 483-78-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 483-78-3 Cadalene

Compound Image


2D Structure

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(External database - ChemAxon)