AromaDb: A Database of Plant's Aroma Molecules

Diethyl succinate Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
123-25-1
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID31249
Molecular Weight (mg/mol)174.2
Molecular FormulaC8H14O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCCOC(=O)CCC(=O)OCC
PUBCHEM IUPAC INCHIKEYDKMROQRQHGEIOW-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.465

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.789
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD509.98507
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
1 123-25-1 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-25-1 Diethyl succinate

Compound Image


2D Structure

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