1,1,1,4,4,4-hexachlorobutane (CED0178409)

Record Information
Version1.0
Creation Date2026-08-22 16:38:52 UTC
Update Date2026-08-22 16:38:52 UTC
SynCED IDCED0178409
Secondary Accession Numbers
  • CHEM218071
Identification
Common Name1,1,1,4,4,4-hexachlorobutane
ClassSmall Molecule
Description
1,1,1,4,4,4-hexachlorobutane belongs to the organochlorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C4H4Cl6 and an average molecular weight of 264.80 g/mol. Regarding its environmental presence, 1,1,1,4,4,4-hexachlorobutane has been found in or released from 16 recorded sources. These sources include electrical and electronic equipment, specifically amplifiers, antennas, auxiliary devices, communication cables or conductors, and cores yokes or armatures, among 11 other sources.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC4H4Cl6
Average Molecular Mass264.800 g/mol
Monoisotopic Mass261.844 g/mol
CAS Registry Number26523-63-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C4H4Cl6/c5-3(6,7)1-2-4(8,9)10/h1-2H2
InChI KeyMINPZZUPSSVGJN-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
288.0 Log mg/kg [160:510]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentNot Available
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentNot Available
CEDs000510Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.Electrical & Electronic EquipmentNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentNot Available
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentNot Available
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentNot Available
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentNot Available
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentNot Available
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentNot Available
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentNot Available
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentNot Available
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentNot Available
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentNot Available
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentNot Available
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentNot Available
CEDs000584Buoys?Buoys, often used for navigation and marine monitoring, can be sources of synthetic chemical contamination due to the materials and coatings employed in their construction.Marine, shipping & aquacultureNot Available
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.109
Applicability Domain
0.111 Low confidence
Statistical Significance
0.8725
Supporting Reference Compounds
22
E-value
6792.27
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.111 Low confidence
Statistical Significance
0.6994
Supporting Reference Compounds
15
E-value
5444.85
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.111 Low confidence
Statistical Significance
0.6306
Supporting Reference Compounds
14
E-value
4909.02
Click to view 3D structureIsopentenyl-diphosphate Delta-isomerase 1O35760Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.1 Low confidence
Statistical Significance
0.0114
Supporting Reference Compounds
1
E-value
88.4367
Click to view 3D structureFarnesyl pyrophosphate synthaseP05369Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.1 Low confidence
Statistical Significance
0.0114
Supporting Reference Compounds
1
E-value
88.4367
Click to view 3D structureCeramide synthase 1P27545Mus musculusPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Click to view 3D structureCeramide synthase 4Q9HA82HumansPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Ceramide synthase 6 structureClick to view 3D structureCeramide synthase 6Q6ZMG9HumansPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Click to view 3D structureCeramide synthase 2Q924Z4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Ceramide synthase 5 structureClick to view 3D structureCeramide synthase 5Q9D6K9Mus musculusPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Click to view 3D structureCeramide synthase 1P27544HumansPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.093 Low confidence
Statistical Significance
0.6165
Supporting Reference Compounds
1
E-value
4799.56
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.091
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
527
E-value
7783.83
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)
Prediction Confidence Score
0.088
Applicability Domain
0.088 Low confidence
Statistical Significance
0.4305
Supporting Reference Compounds
2
E-value
3351.1
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.087
Applicability Domain
0.1 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
373
E-value
7784.3
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.086
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
532
E-value
7784.14
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)
Prediction Confidence Score
0.083
Applicability Domain
0.083 Low confidence
Statistical Significance
0.664
Supporting Reference Compounds
1
E-value
5169.5
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.083
Applicability Domain
0.087 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
1498
E-value
7784.53
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.1 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
507
E-value
7784.53
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.086 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
1130
E-value
7784.61
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
425
E-value
7784.3
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.087 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
593
E-value
7784.46
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.08
Applicability Domain
0.094 Low confidence
Statistical Significance
0.9984
Supporting Reference Compounds
55
E-value
7772.78
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.08
Applicability Domain
0.1 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
229
E-value
7784.07
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.08
Applicability Domain
0.1 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
266
E-value
7784.3
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available