AromaDb: A Database of Plant's Aroma Molecules

Bornyl butyrate Details

: IUPAC Name
Bornyl butyrate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
camphoraceous aroma??????

Physical and Chemical properties

PUBCHEM ID97897
Molecular Weight (mg/mol)224.346
Molecular FormulaC14H24O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC NameBornyl butyrate
Canonical SMILESCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
PUBCHEM IUPAC INCHIKEYVIPNQHBVIDJXJE-MISXGVKJSA-N
Solubility Level2
Vapour Pressure-2.084

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.477
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 ToxicityNon-Toxic
Rat Oral LD505.12358
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Bornyl butyrate

Compound Image


2D Structure

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