AromaDb: A Database of Plant's Aroma Molecules

Diethyl 2,3-dihydroxysuccinate Details

: IUPAC Name
Diethyltartrate
:Chemical Class
:CAS Registry Number
13811-71-7
:Description

:Fragrance Type
winey

Physical and Chemical properties

PUBCHEM ID62333
Molecular Weight (mg/mol)206.2
Molecular FormulaC8H14O6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC NameDiethyltartrate
Canonical SMILESCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
PUBCHEM IUPAC INCHIKEYYSAVZVORKRDODB-WDSKDSINSA-N
Solubility Level5
Vapour Pressure-4.631

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA24.06
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP98-0.515
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD505.05877
Ocular IrritancyMild
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 13811-71-7
2 13811-71-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 13811-71-7 Diethyl 2,3-dihydroxysuccinate

Compound Image


2D Structure

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