AromaDb: A Database of Plant's Aroma Molecules

Ethylacrylate Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
140-88-5
:Description

:Fragrance Type
fruity aroma

Physical and Chemical properties

PUBCHEM ID8821
Molecular Weight (mg/mol)100.119
Molecular FormulaC5H8O2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
IUPAC Name
Canonical SMILESC=CC(=O)OCC
PUBCHEM IUPAC INCHIKEYJIGUQPWFLRLWPJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure1.485

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA135.51
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.067
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.58294
Ocular IrritancyMild
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
1 140-88-5 AKR1B10 Homo sapiens ethyl acrylate results in increased expression of AKR1B10 mRNA increases^expression 26198647
2 140-88-5 AKR1C2 Homo sapiens ethyl acrylate results in increased expression of AKR1C2 mRNA increases^expression 26198647
3 140-88-5 ASF1A Homo sapiens ethyl acrylate results in increased expression of ASF1A mRNA increases^expression 26198647
4 140-88-5 FBXO30 Homo sapiens ethyl acrylate results in increased expression of FBXO30 mRNA increases^expression 26198647
5 140-88-5 GCLC Homo sapiens ethyl acrylate results in increased expression of GCLC mRNA increases^expression 26198647
6 140-88-5 GCNT3 Homo sapiens ethyl acrylate results in increased expression of GCNT3 mRNA increases^expression 26198647
7 140-88-5 LIF Homo sapiens ethyl acrylate results in increased expression of LIF mRNA increases^expression 26198647
8 140-88-5 SLC7A11 Homo sapiens ethyl acrylate results in decreased expression of SLC7A11 mRNA decreases^expression 26198647
9 140-88-5 TRP53 Mus musculus ethyl acrylate results in increased expression of TRP53 protein increases^expression 9667752
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 140-88-5 Ethylacrylate

Compound Image


2D Structure

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