Record Information
Version1.0
Creation Date2016-05-19 03:17:32 UTC
Update Date2016-11-09 01:14:08 UTC
Accession NumberCHEM010154
Identification
Common NameSodium ethoxide
ClassSmall Molecule
DescriptionAn organic monosodium salt that has ethoxide as the counterion.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Caustic alcoholChEBI
EthoxysodiumChEBI
NaOEtChEBI
Sodium ethylateChEBI
Sodium ethylic acidGenerator
Sodium;ethanolic acidGenerator
Sodium ethoxideMeSH
Chemical FormulaC2H5NaO
Average Molecular Mass68.051 g/mol
Monoisotopic Mass68.024 g/mol
CAS Registry Number141-52-6
IUPAC Namesodium ethanolate
Traditional Namesodium ethoxide
SMILES[Na+].CC[O-]
InChI IdentifierInChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1
InChI KeyQDRKDTQENPPHOJ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
KingdomOrganic compounds
Super ClassOrganic salts
ClassOrganic metal salts
Sub ClassOrganic alkali metal salts
Direct ParentOrganic alkali metal salts
Alternative Parents
Substituents
  • Organic alkali metal salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic zwitterion
  • Alkoxide
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility178 g/LALOGPS
logP0.13ALOGPS
logP-0.16ChemAxon
logS0.42ALOGPS
pKa (Strongest Acidic)16.47ChemAxon
pKa (Strongest Basic)-2.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.06 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.56 m³·mol⁻¹ChemAxon
Polarizability4.94 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-ca944e93256d409579c7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-2d5edd5aff09f71da300Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0fb9-9000000000-14f616d576ec27767905Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-8128735cce000b23508cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-12432f03324c428fabb9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-016r-9000000000-2da8bba746efc9cfe699Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_ethoxide
Chemspider IDNot Available
ChEBI ID52096
PubChem Compound ID8848
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available