AromaDb: A Database of Plant's Aroma Molecules

Isoborneol Details

: IUPAC Name
Isoborneol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
camphoraceous

Physical and Chemical properties

PUBCHEM ID61060
Molecular Weight (mg/mol)154.254
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC NameIsoborneol
Canonical SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2
PUBCHEM IUPAC INCHIKEYDTGKSKDOIYIVQL-XKSSXDPKSA-N
Solubility Level3
Vapour Pressure-1.236

Absorption and Metabolism information

XLOGP3 AA2.7
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.975
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 LD502.92751
Ocular IrritancySevere
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Isoborneol

Compound Image


2D Structure

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