Record Information
Version1.0
Creation Date2014-09-17 20:02:38 UTC
Update Date2026-04-16 23:02:32 UTC
Accession NumberCHEM003907
Identification
Common NameTriethyl arsenate
ClassSmall Molecule
DescriptionTriethyl arsenate is used in the manufacture of semiconductors and electronics. It was included in 2008 in the European Chemicals Agency (ECHA) list of Substances of Very High Concern (SVHC) due to its being a carcinogen. Substances in the list of SVHCs are those for which ECHA is considering imposing a requirement for authorization for some or all uses.
Contaminant Sources
  • ECHA Carcinogen
  • STOFF IDENT Compounds
  • T3DB toxins
Contaminant Type
  • Industrial/Workplace Toxin
  • Organic Compound
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Triethyl arsoric acidGenerator
Chemical FormulaC6H15AsO4
Average Molecular Mass226.103 g/mol
Monoisotopic Mass226.019 g/mol
CAS Registry Number15606-95-8
IUPAC Nametriethyl arsorate
Traditional Namearsenic acid, triethyl ester
SMILESCCO[As](=O)(OCC)OCC
InChI IdentifierInChI=1S/C6H15AsO4/c1-4-9-7(8,10-5-2)11-6-3/h4-6H2,1-3H3
InChI KeyMGRFDZWQSJNJQP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic arsenates. These are organic compounds containing the arsenate oxoanion, with the formula AsO43-.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganic oxoanionic compounds
Sub ClassOrganic arsenates
Direct ParentOrganic arsenates
Alternative Parents
Substituents
  • Organic arsenate
  • Organic metalloid salt
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot 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 Solubility33.9 g/LALOGPS
logP1.2ALOGPS
logP2ChemAxon
logS-0.82ALOGPS
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area44.76 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity36.83 m³·mol⁻¹ChemAxon
Polarizability19.12 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, Positivesplash10-004i-2290000000-ffdf1897bab047806483Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-3980000000-1cdc2ccbda353ad603bcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9200000000-bde929cf118077b465edSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0490000000-9e8eac76c1846f559f0cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-6590000000-2c3f643bef82fd87dc43Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002e-8900000000-2f3e27170aed0440abe0Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (1)
Uses/SourcesTriethyl arsenate is used in the manufacture of semiconductors and electronics.
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 LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID586279
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available