Record Information
Version1.0
Creation Date2016-05-19 03:40:27 UTC
Update Date2016-11-09 01:14:24 UTC
Accession NumberCHEM011536
Identification
Common Nameglycolic acid, sodium salt
ClassSmall Molecule
DescriptionAn organic sodium salt comprising equal numbers of sodium and glycolate ions.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Glycolic acid, monosodium saltChEBI
Glycolic acid, sodium saltChEBI
Hydroxyacetic acid, monosodium saltChEBI
Monosodium glycolateChEBI
NatriumglykolatChEBI
Sodium 2-hydroxyacetateChEBI
Sodium lycolateChEBI
Glycolate, monosodium saltGenerator
Glycolate, sodium saltGenerator
Hydroxyacetate, monosodium saltGenerator
Monosodium glycolic acidGenerator
Sodium 2-hydroxyacetic acidGenerator
Sodium lycolic acidGenerator
Sodium glycolic acidGenerator
Glycolic acid, potassium saltMeSH
GlycolateMeSH
Glycolic acidMeSH
Glycolic acid, 1-(14)C-labeledMeSH
Glycolic acid, monolithium saltMeSH
Glycolic acid, monopotassium saltMeSH
Glycolic acid, 2-(14)C-labeledMeSH
Glycolic acid, monoammonium saltMeSH
Hydroxyacetic acidMeSH
Glycolic acid, calcium saltMeSH
Chemical FormulaC2H3NaO3
Average Molecular Mass98.033 g/mol
Monoisotopic Mass97.998 g/mol
CAS Registry Number2836-32-0
IUPAC Namesodium 2-hydroxyacetate
Traditional Namesodium glycolate
SMILES[Na+].OCC([O-])=O
InChI IdentifierInChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1
InChI KeyVILMUCRZVVVJCA-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid salts
Alternative Parents
Substituents
  • Carboxylic acid salt
  • Organic alkali metal salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic salt
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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 Solubility1130 g/LALOGPS
logP-0.74ALOGPS
logP-1ChemAxon
logS1.06ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity25.18 m³·mol⁻¹ChemAxon
Polarizability5.8 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-89858ae651fbb9d5729aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4j-9000000000-83c3645ee7afe9334a45Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-1a29fd1943f9cb5b6317Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-5f79ede5b7ae97788d28Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-686cc384ef9d36a5eb1aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a6r-9000000000-80e9bef25255660b0656Spectrum
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 LinkGlycolic acid
Chemspider IDNot Available
ChEBI ID132094
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available