Sodium Tetradecyl Sulfate (CHEM003699)

Record Information
Version1.0
Creation Date2014-09-11 05:14:20 UTC
Update Date2026-04-16 22:22:06 UTC
Accession NumberCHEM003699
Identification
Common NameSodium Tetradecyl Sulfate
ClassSmall Molecule
Description
An anionic surface-active agent used for its wetting properties in industry and used in medicine as an irritant and sclerosing agent for hemorrhoids and varicose veins.
Contaminant Sources
  • HMDB Contaminants - Urine
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Drug
  • Ester
  • Metabolite
  • Organic Compound
  • Sclerosing Solution
  • Surface-Active Agent
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Sodium tetradecyl sulfuric acidGenerator
Sodium tetradecyl sulphateGenerator
Sodium tetradecyl sulphuric acidGenerator
TrombovarHMDB
Sotradecol sodiumHMDB
Tergitol 4HMDB
Sulfate, sodium tetradecylHMDB
Tetradecyl sulfate, sodiumHMDB
TrombavarHMDB
(Tetradecyloxy)sulfonateGenerator
(Tetradecyloxy)sulphonateGenerator
(Tetradecyloxy)sulphonic acidGenerator
Chemical FormulaC14H30O4S
Average Molecular Mass294.451 g/mol
Monoisotopic Mass294.186 g/mol
CAS Registry Number1191-50-0
IUPAC Name(tetradecyloxy)sulfonic acid
Traditional NameSTDS
SMILESCCCCCCCCCCCCCCOS(O)(=O)=O
InChI IdentifierInChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChI KeyURLJMZWTXZTZRR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic sulfuric acids and derivatives
Sub ClassSulfuric acid esters
Direct ParentSulfuric acid monoesters
Alternative Parents
Substituents
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • 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
Solubility2.62e-03 g/L
Predicted Properties
PropertyValueSource
Water Solubility0.0026 g/LALOGPS
logP2.59ALOGPS
logP5.31ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity78.14 m³·mol⁻¹ChemAxon
Polarizability35.74 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicitySodium tetradecyl sulfate is a potent toxin for endothelial cells in that brief exposure to even low concentrations are effective in stripping endothelium over a considerable distance and exposing highly thrombogenic endothelium in the process. Diluted sodium tetradecyl sulfate is also able to induce a hypercoagulable state, possibly by selective inhibition of protein C, and can also promote platelet aggregation.
MetabolismNot Available
Toxicity ValuesLD50=1250 mg/kg (Orally in rat); LD50=3 ml/kg (Skin in rat)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesFor the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0014607
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium tetradecyl sulfate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID5248
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSLink
General References