AromaDb: A Database of Plant's Aroma Molecules

1,1-Dimethoxyethane Details

: IUPAC Name
1,1-dimethoxyethane
:Chemical Class
Alkane
:CAS Registry Number
534-15-6
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID10795
Molecular Weight (mg/mol)90.124
Molecular FormulaC4H10O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name1,1-dimethoxyethane
Canonical SMILESCOC(C)OC
PUBCHEM IUPAC INCHIKEYSPEUIVXLLWOEMJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure2.345

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA18.46
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP980.079
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.71307
Ocular IrritancyMild
Hepatotoxic#Prediction1
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
1 534-15-6 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 534-15-6 1,1-Dimethoxyethane

Compound Image


2D Structure

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