AromaDb: A Database of Plant's Aroma Molecules

Cyclohexyl anthranilate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
7779-16-0
:Description

:Fragrance Type
orangeblossom

Physical and Chemical properties

PUBCHEM ID24510
Molecular Weight (mg/mol)219.286
Molecular FormulaC13H17NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC Name
Canonical SMILESNc1ccccc1C(=O)OC2CCCCC2
PUBCHEM IUPAC INCHIKEYKFEZETDKFSMLMG-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP982.797
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.26767
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 7779-16-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7779-16-0 Cyclohexyl anthranilate

Compound Image


2D Structure

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