AromaDb: A Database of Plant's Aroma Molecules

Benzyl ethanoate Details

: IUPAC Name
Benzylacetate
:Chemical Class
:CAS Registry Number
140-11-4
:Description

:Fragrance Type
Jasmine

Physical and Chemical properties

PUBCHEM ID8785
Molecular Weight (mg/mol)150.179
Molecular FormulaC9H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC NameBenzylacetate
Canonical SMILESCC(=O)OCc1ccccc1
PUBCHEM IUPAC INCHIKEYQUKGYYKBILRGFE-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.075

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.604
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.39384
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 mRNA increases^expression 22952646
2 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 mRNA increases^expression 22952646
3 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 mRNA increases^expression 22952646
4 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 protein increases^expression 22952646
5 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 protein increases^expression 22952646
6 140-11-4 ENPP2 Homo sapiens benzyl acetate results in increased expression of ENPP2 protein increases^expression 22952646
7 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 mRNA increases^expression 22952646
8 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 mRNA increases^expression 22952646
9 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 mRNA increases^expression 22952646
10 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 protein increases^expression 22952646
11 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 protein increases^expression 22952646
12 140-11-4 MMP9 Homo sapiens benzyl acetate results in increased expression of MMP9 protein increases^expression 22952646
13 140-11-4 PPP3CA Homo sapiens benzyl acetate results in increased cleavage of and results in increased activity of PPP3CA protein increases^activity|increases^cleavage 22952646
14 140-11-4 PPP3CA Homo sapiens benzyl acetate results in increased cleavage of and results in increased activity of PPP3CA protein increases^activity|increases^cleavage 22952646
15 140-11-4 PPP3CA Homo sapiens benzyl acetate results in increased cleavage of and results in increased activity of PPP3CA protein increases^activity|increases^cleavage 22952646
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 140-11-4 Benzyl ethanoate

Compound Image


2D Structure

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