α-hydro-ω-tetradecoxy-poly(oxyethylene) (CHEM045078)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-06-03 12:49:00 UTC
Update Date2026-08-19 17:55:06 UTC
Accession NumberCHEM045078
Identification
Common Nameα-hydro-ω-tetradecoxy-poly(oxyethylene)
ClassSmall Molecule
Descriptionα-hydro-ω-tetradecoxy-poly(oxyethylene) is an organic oxygen compound with the formula C16H34O2 and an average molecular weight of 258.45 g/mol. α-hydro-ω-tetradecoxy-poly(oxyethylene) belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this compound serves as an emulsifier and a surfactant (surface active agent). It has been identified in three recorded sources, including soap detergents within household cleaning and consumer products, the preparation of wine or sparkling wine within food, food processing and cookware, and fixed capacitors and their manufacture within electrical and electronic equipment.
Contaminant Sources
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC16H34O2
Average Molecular Mass258.446 g/mol
Monoisotopic Mass258.256 g/mol
CAS Registry Number27306-79-2
IUPAC Name2-tetradecoxyethanol
Traditional Name2-(tetradecyloxy)ethanol
SMILESCCCCCCCCCCCCCCOCCO
InChI IdentifierInChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17/h17H,2-16H2,1H3
InChI KeyQHERURXKGFABNZ-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
  • 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 Solubility0.00029 g/LALOGPS
logP6.07ALOGPS
logP5.2ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)15.12ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.46 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity79.19 m³·mol⁻¹ChemAxon
Polarizability35.51 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-1290000000-807a3aaf5ea25d6a71f2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-052b-5940000000-210771866bd8c448e985Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0005-9400000000-95059f290a07d5a32111Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-1090000000-5e337ea65a81725b4331Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0bt9-5190000000-291c34b3f3f14d0aa0f2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03dl-9200000000-0e1c2f07fbe3d4d171a2Spectrum
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 ID16491
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available