1,1'-Sulphonylbispentane (CED0085084)

Record Information
Version1.0
Creation Date2026-04-04 22:25:29 UTC
Update Date2026-04-04 22:25:29 UTC
Accession NumberCHEM083730
Identification
Common Name1,1'-Sulphonylbispentane
ClassSmall Molecule
Description
1,1'-Sulphonylbispentane is an organic compound with the chemical formula C10H22O2S and an average molecular weight of 206.34 g/mol. 1,1'-Sulphonylbispentane belongs to the sulfones, a subclass of sulfonyls within the organic compounds. The compound is identified as being found in or released from 15 recorded sources across several categories. Within electrical and electronic equipment, it is associated with communication cables or conductors, antennas, coils, discharge lamps, and auxiliary devices, among three other sources. In the category of household cleaning and consumer products, it is found in soap dispensers, tobacco product cases, pipe accessories, and other smoking requisites. Additionally, it is recorded in building and construction materials, specifically in tents or canopies, ceilings, and stairs and ramps.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC10H22O2S
Average Molecular Mass206.340 g/mol
Monoisotopic Mass206.134 g/mol
CAS Registry Number4253-99-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCS(=O)(=O)CCCCC
InChI IdentifierInChI=1/C10H22O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
InChI KeyNLUGCAKOZAODBF-UHFFFAOYSA-N
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
5858.0Log mg/kg[3300:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
602MolluscicidesAgriculture & land managementNot Available
630ToysRecreation & sports surfacesNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)5.13805
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)6.92858
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)6.92858
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)461.957
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)555.999
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)5.60514
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)344.638
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)41.9607
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)18.7617
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)5.13805
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)30.3612
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)8.01847
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)14.7914
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)28.0257
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)0.389246
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)14.48
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)54.6502
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)1.86838
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)0.389246
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)52.9375
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)2.72472
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)67.0282
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)7.94062
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)84.3886
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)20.1629
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available