AromaDb: A Database of Plant's Aroma Molecules

Butyl anthranilate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
7756-96-9
:Description

:Fragrance Type
floral aroma??????

Physical and Chemical properties

PUBCHEM ID24433
Molecular Weight (mg/mol)193.248
Molecular FormulaC11H15NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Name
Canonical SMILESCCCCOC(=O)c1ccccc1N
PUBCHEM IUPAC INCHIKEYHUIYGGQINIVDNW-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-3.567

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP982.267
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD508.51352
Ocular IrritancyNone
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 7756-96-9
2 7756-96-9
3 7756-96-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7756-96-9 Butyl anthranilate

Compound Image


2D Structure

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