AromaDb: A Database of Plant's Aroma Molecules

Bornyl valerate Details

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

:Fragrance Type
camphoraceous aroma??????

Physical and Chemical properties

PUBCHEM ID110801
Molecular Weight (mg/mol)238.373
Molecular FormulaC15H26O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameBornyl valerate
Canonical SMILESCCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
PUBCHEM IUPAC INCHIKEYILUAVCBOWYHFAI-YWPYICTPSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.933
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 LD506.10716
Ocular IrritancyNone
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 valerate

Compound Image


2D Structure

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