AromaDb: A Database of Plant's Aroma Molecules

Ethylvanillin Details

: IUPAC Name
Ethylvanillin
:Chemical Class
:CAS Registry Number
121-32-4
:Description

:Fragrance Type
vanilla

Physical and Chemical properties

PUBCHEM ID8467
Molecular Weight (mg/mol)166.179
Molecular FormulaC9H10O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
IUPAC NameEthylvanillin
Canonical SMILESCCOc1cc(C=O)ccc1O
PUBCHEM IUPAC INCHIKEYCBOQJANXLMLOSS-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-3.083

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA74.59
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.679
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD504.78094
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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
1 121-32-4 OLFR73 Mus musculus ethyl vanillin binds to and results in increased activity of OLFR73 protein affects^binding|increases^activity 15716417
2 121-32-4 OLFR73 Mus musculus [ethyl vanillin binds to and results in increased activity of OLFR73 protein] which results in increased transport of Calcium affects^binding|increases^activity|increases^transport 15716417
3 121-32-4 TRPV3 Mus musculus ethyl vanillin results in increased activity of TRPV3 protein increases^activity 16617338
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 121-32-4 Ethylvanillin

Compound Image


2D Structure

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