AromaDb: A Database of Plant's Aroma Molecules

Bornylformate Details

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

:Fragrance Type
camphoraceous aroma??

Physical and Chemical properties

PUBCHEM ID565594
Molecular Weight (mg/mol)182.265
Molecular FormulaC11H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameBornylformate
Canonical SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](C(=O)O)C2
PUBCHEM IUPAC INCHIKEYZURRKVIQUKNLHF-DKCNOQQISA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP982.261
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 ToxicityToxic
Rat Oral LD503.30602
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 Bornylformate

Compound Image


2D Structure

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