Potassium dodecyl sulphate (C12 ASO4 K) (CED0188717)

Record Information
Version1.0
Creation Date2016-05-19 05:03:53 UTC
Update Date2026-05-14 17:59:17 UTC
Accession NumberCHEM015783
Identification
Common NamePotassium dodecyl sulphate (C12 ASO4 K)
ClassSmall Molecule
Description
Potassium dodecyl sulphate (C12 ASO4 K) belongs to the sulfuric acid esters, a subclass of organic sulfuric acids and derivatives within the organic compounds. This compound has the chemical formula C12H26O4S and an average molecular weight of 266.40 g/mol. In industrial applications, it serves as a surfactant (surface active agent) and an emulsifier. The substance is found in or released from 21 recorded sources. These include electrical and electronic equipment, such as antennas, amplifiers, electric switches, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among seven others. It is also present in household cleaning and consumer products, including soap detergents, soap dispensers, bleaching agents, perfumes within detergents and soaps, and tobacco product moisture control, as well as one additional source. Furthermore, it is associated with food preservation, food contact materials, and indoor air. Recorded exposure routes for the compound include oral, inhalation, and touch. Regarding its biological activity, there are two recorded protein targets: lipid A palmitoyltransferase PagP (pagP) and lysozyme C (LYZ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Lauryl sulfuric acidChEBI
Monododecyl hydrogen sulfateChEBI
Sulfuric acid, monododecyl esterChEBI
Lauryl sulfateGenerator
Lauryl sulphateGenerator
Lauryl sulphuric acidGenerator
Monododecyl hydrogen sulfuric acidGenerator
Monododecyl hydrogen sulphateGenerator
Monododecyl hydrogen sulphuric acidGenerator
Sulfate, monododecyl esterGenerator
Sulphate, monododecyl esterGenerator
Sulphuric acid, monododecyl esterGenerator
Dodecyl sulfuric acidGenerator
Dodecyl sulphateGenerator
Dodecyl sulphuric acidGenerator
Ammonium dodecyl sulfateMeSH
Ammonium lauryl sulfateMeSH
Dodecyl sulfate, ammonium saltMeSH
Dodecyl sulfate, calcium saltMeSH
Dodecyl sulfate, magnesium saltMeSH
Dodecyl sulfate, silver (+1) saltMeSH
Lithium dodecyl sulfateMeSH
Potassium dodecyl sulfateMeSH
Dodecyl sulfate, cobalt (+2) saltMeSH
Dodecyl sulfate, lithium saltMeSH
Dodecyl sulfate, potassium saltMeSH
Dodecyl sulfate, zinc salt (2:1)MeSH
Magnesium dodecyl sulfateMeSH
Dodecyl sulfate, magnesium, sodium salt (4:1:2)MeSH
Dodecyl sulfate, manganese (+2) saltMeSH
Dodecyl sulfate, nickel (+2) saltMeSH
Dodecyl sulfate, rubidium saltMeSH
Dodecyl sulfate, strontium saltMeSH
Dodecyl sulfate, thallium (+1) saltMeSH
Lithium lauryl sulfateMeSH
Dodecyl sulfate, barium saltMeSH
Dodecyl sulfate, cadmium saltMeSH
Dodecyl sulfate, cesium saltMeSH
Dodecyl sulfate, copper (+2) saltMeSH
Dodecyl sulfate, lead (+2) saltMeSH
Dodecyl sulfate, manganese saltMeSH
LaurylsulfateMeSH
Magnesium lauryl sulfateMeSH
DODECYL sulfATEChEBI
Dodecyl hydrogen sulfuric acidGenerator
Dodecyl hydrogen sulphateGenerator
Dodecyl hydrogen sulphuric acidGenerator
Chemical FormulaC12H26O4S
Average Molecular Mass266.397 g/mol
Monoisotopic Mass266.155 g/mol
CAS Registry Number4706-78-9
IUPAC Name(dodecyloxy)sulfonic acid
Traditional NameN-dodecyl sulfate
SMILESCCCCCCCCCCCCOS(O)(=O)=O
InChI IdentifierInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChI KeyMOTZDAYCYVMXPC-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 Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.011 g/LALOGPS
logP1.77ALOGPS
logP4.42ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity68.93 m³·mol⁻¹ChemAxon
Polarizability31.5 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-03di-7910000000-4348e8fc54dac193b2beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0950000000-6709f48f66c2729b3d4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-4958309b57fc476b3a45Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-2090000000-58e2a275a00d7579a9a2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-1690000000-7b90de9db5e641f6c78bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-3900000000-2827b7c659716a809df8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9300000000-67079e963354828155fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-1190000000-81a4d723a4a3f1488b32Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014j-9880000000-3a5548e240da7a37790fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001j-9400000000-552ec0acb1c495fc0e68Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1934.0Log mg/kg[1100:3400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
19Indoor airAir, dust & atmospheric transportNot Available
233BrushesPersonal care & cosmeticsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
568Tobacco Product Moisture ControlHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
584BuoysMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)9.57545
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)37.7569
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)1.01204
Click to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)1.47914
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)0.389246
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)37.1341
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)33.7087
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)1.24559
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)5.99439
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)3.81461
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)47.7216
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)14.0129
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)76.4479
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)16.5819
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)1.71268
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)53.4046
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)3.34752
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)3.11397
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)205.678
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)254.178
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)32.9302
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)140.907
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)8.09632
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)9.73115
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)112.804
Concentrations
Not Available
External Links
DrugBank IDDB03967
HMDB IDHMDB0168125
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 ID45599
PubChem Compound ID8778
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References