AromaDb: A Database of Plant's Aroma Molecules

2-Camphanyl acetate Details

: IUPAC Name
Bornylacetate
:Chemical Class
:CAS Registry Number
5655-61-8
:Description

:Fragrance Type
camphoraceous aroma??????

Physical and Chemical properties

PUBCHEM ID6448
Molecular Weight (mg/mol)196.292
Molecular FormulaC12H20O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC NameBornylacetate
Canonical SMILESCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
PUBCHEM IUPAC INCHIKEYKGEKLUUHTZCSIP-HOSYDEDBSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.354
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 ToxicityNon-Toxic
Rat Oral LD507.23962
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 5655-61-8
2 5655-61-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5655-61-8 2-Camphanyl acetate

Compound Image


2D Structure

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