AromaDb: A Database of Plant's Aroma Molecules

d-3-Carene Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
20296-50-8
:Description

:Fragrance Type
fruity aroma??

Physical and Chemical properties

PUBCHEM ID26049
Molecular Weight (mg/mol)136.238
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESC/C1=C/C[C@H]2[C@@H](C1)C2(C)C
PUBCHEM IUPAC INCHIKEYBQOFWKZOCNGFEC-DTWKUNHWSA-N
Solubility Level3
Vapour Pressure0.238

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP982.872
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 LD500.836457
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

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 20296-50-8
2 20296-50-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 20296-50-8 d-3-Carene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Catnip, Catswort, or Catmint Nepeta cataria essential oil
2 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil

Compound Image


2D Structure

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(External database - ChemAxon)