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Record Information
Version1.0
Creation Date2014-09-08 02:41:47 UTC
Update Date2016-11-09 01:09:11 UTC
Accession NumberCHEM003622
Identification
Common NameDimethyl ether
ClassSmall Molecule
DescriptionDimethyl ether (DME), also known as methoxymethane, is the organic compound with the formula CH3OCH3. The simplest ether, it is a colourless gas that is a useful precursor to other organic compounds and an aerosol propellant.
Contaminant Sources
  • Clean Air Act Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
Contaminant Type
  • Aerosol Spray Component
  • Ether
  • Household Toxin
  • Industrial/Workplace Toxin
  • Organic Compound
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
(CH3)2OChEBI
CH3-O-CH3ChEBI
Dimethyl oxideChEBI
DMEChEBI
MethoxymethaneChEBI
Methyl etherChEBI
OxybismethaneChEBI
Chemical FormulaC2H6O
Average Molecular Mass46.068 g/mol
Monoisotopic Mass46.042 g/mol
CAS Registry Number115-10-6
IUPAC Namemethoxymethane
Traditional Namemethyl ether
SMILESCOC
InChI IdentifierInChI=1S/C2H6O/c1-3-2/h1-2H3
InChI KeyLCGLNKUTAGEVQW-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative Parents
Substituents
  • Dialkyl ether
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Actin Cytoskeleton
  • Cell junction
  • Cell surface
  • Centrosome
  • Cytoplasm
  • Cytoskeleton
  • Cytosol
  • Dendritic Process
  • Endocytic Vesicle
  • Endoplasmic reticulum
  • Extracellular
  • Extracellular matrix
  • Membrane Fraction
  • Microsome
  • Microtubule
  • Mitochondrial Membrane
  • Mitochondrion
  • Nerve Fiber
  • Peroxisome
  • Plasma Membrane
  • Sarcoplasmic Reticulum
  • Soluble Fraction
  • Tubulin
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
ApoptosisNot Availablemap04210
QuinolinesNot AvailableNot Available
Cell cycleNot Availablemap04110
Metabolic PathwaysNot AvailableNot Available
Tyrosine MetabolismSMP00006 map00350
Anti Hiv AgentsNot AvailableNot Available
Pentose Phosphate PathwaySMP00031 map00030
PenicillinsNot AvailableNot Available
Influenza aNot Availablemap05164
Gastric acid secretionNot Availablemap04971
EndocytosisNot Availablemap04144
Antiviral AgentsNot AvailableNot Available
Antifungal AgentsNot AvailableNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility226 g/LALOGPS
logP-0.16ALOGPS
logP0.12ChemAxon
logS0.69ALOGPS
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.01 m³·mol⁻¹ChemAxon
Polarizability5.31 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-0853e04102244be87ba2Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-1479479074fc7fd1a4acSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-539a3f7a3490f0e84eedSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-539a3f7a3490f0e84eedSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-41d9d2c2b5a6b7a9c68aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-db898bcedaee4c1a88a9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-60c29ca5f0d8e1724e10Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f2fac747ac3ca98d52ecSpectrum
MSMass Spectrum (Electron Ionization)splash10-0002-9000000000-7e5d8369f2a864f62df8Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0062107
FooDB IDFDB006938
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDimethyl_ether
Chemspider IDNot Available
ChEBI ID28887
PubChem Compound ID8254
Kegg Compound IDC11144
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16348771