Sodium 3-(4-nonylphenoxy)propanesulphonate (CED0149100)

Record Information
Version1.0
Creation Date2026-04-05 00:03:28 UTC
Update Date2026-04-05 00:03:28 UTC
Accession NumberCHEM085913
Identification
Common NameSodium 3-(4-nonylphenoxy)propanesulphonate
ClassSmall Molecule
Description
Sodium 3-(4-nonylphenoxy)propanesulphonate is an organic compound with the chemical formula C18H30O4S and an average molecular weight of 364.48 g/mol. Sodium 3-(4-nonylphenoxy)propanesulphonate belongs to the phenol ethers, a class of benzenoids within the organic compounds. This substance has been identified in or released from one recorded source: household cleaning and consumer products, specifically pipe accessories.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H30O4S
Average Molecular Mass364.480 g/mol
Monoisotopic Mass342.186 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Na+].CCCCCCCCCC1=CC=C(OCCCS([O-])(=O)=O)C=C1
InChI IdentifierInChI=1/C18H30O4S.Na/c1-2-3-4-5-6-7-8-10-17-11-13-18(14-12-17)22-15-9-16-23(19,20)21;/h11-14H,2-10,15-16H2,1H3,(H,19,20,21);/q;+1/p-1
InChI KeyYBXJDEBEAFBTER-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
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
2352.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
562Pipe AccessoriesHousehold cleaning & consumer productsNot 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)1.71268
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)1.79053
Click to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)0.311397
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)17.5939
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)2.33548
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)283.293
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)3.26967
Click to view 3D structureRAC-alpha serine/threonine-protein kinaseP31750MousePredicted (SEA)0.934191
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)212.606
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)220.158
Click to view 3D structureCytosolic phospholipase A2 betaP0C869HumansPredicted (SEA)2.17978
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)61.8123
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)39.6253
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)124.325
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)34.5651
Sphingosine 1-phosphate receptor 3 structureClick to view 3D structureSphingosine 1-phosphate receptor 3Q99500HumansPredicted (SEA)19.8516
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)239.62
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)604.577
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)193.066
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)199.995
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)509.757
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)19.2288
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)354.37
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)158.735
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)188.94
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available