3,6,9,12-Tetraoxatetradecan-1-ol (CHEM012835)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-19 04:02:51 UTC
Update Date2026-08-18 03:18:55 UTC
Accession NumberCHEM012835
Identification
Common Name3,6,9,12-Tetraoxatetradecan-1-ol
ClassSmall Molecule
Description3,6,9,12-Tetraoxatetradecan-1-ol belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C10H22O5 and an average molecular weight of 222.28 g/mol. It has been recorded in two sources: discharge lamps found in electrical and electronic equipment, and indoor air via dust and atmospheric transport. The recorded exposure route for this compound is inhalation.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H22O5
Average Molecular Mass222.280 g/mol
Monoisotopic Mass222.147 g/mol
CAS Registry Number5650-20-4
IUPAC Name2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol
Traditional Name3,6,9,12-tetraoxatetradecan-1-ol
SMILESNot Available
InChI IdentifierInChI=1S/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3
InChI KeyGTAKOUPXIUWZIA-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentPolyethylene glycols
Alternative Parents
Substituents
  • Polyethylene glycol
  • Hydrocarbon derivative
  • Primary alcohol
  • 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 Solubility15.8 g/LALOGPS
logP0.02ALOGPS
logP-0.35ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)15.12ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area57.15 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity57.18 m³·mol⁻¹ChemAxon
Polarizability26.11 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
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 LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID79734
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available