AromaDb: A Database of Plant's Aroma Molecules

Pinocarveol Details

: IUPAC Name
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
:Chemical Class
Monoterpene
:CAS Registry Number
5947-36-4
:Description

:Fragrance Type
balsamic

Physical and Chemical properties

PUBCHEM ID102667
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
Canonical SMILESC=C1C(O)CC2CC1C2(C)C
PUBCHEM IUPAC INCHIKEYLCYXQUJDODZYIJ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.564

Absorption and Metabolism information

XLOGP3 AA1.8
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.824
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 LD500.930801 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 5947-36-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5947-36-4 Pinocarveol

Compound Image


2D Structure

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(External database - ChemAxon)