Formaldehyde, polymer with 4-(1,1,3,3-tetramethylbutyl)phenol (CED0036732)

Record Information
Version1.0
Creation Date2016-05-19 03:38:03 UTC
Update Date2026-04-17 16:26:23 UTC
SynCED IDCED0036732
Secondary Accession Numbers
  • CHEM011393
Identification
Common NameFormaldehyde, polymer with 4-(1,1,3,3-tetramethylbutyl)phenol
ClassSmall Molecule
Description
Formaldehyde, polymer with 4-(1,1,3,3-tetramethylbutyl)phenol is an organic oxygen compound with the formula C15H24O2 and an average molecular weight of 236.35 g/mol. Formaldehyde, polymer with 4-(1,1,3,3-tetramethylbutyl)phenol belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. Industrially, this substance is utilized as an adhesion/cohesion promoter. It has been recorded as being released from or found in magnets within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H24O2
Average Molecular MassNot Available
Monoisotopic Mass236.178 g/mol
CAS Registry Number26678-93-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O
InChI IdentifierNot Available
InChI KeyPBRIXADXGMHVMW-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
2280.0 Log mg/kg [1300:4100]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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
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 EquipmentPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
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 & furnishingsPubChem
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 processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
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 structureSarcoplasmic/endoplasmic reticulum calcium ATPase 2P11507Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.481
Applicability Domain
0.481
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.481
Statistical Significance
0.0026
Supporting Reference Compounds
174
E-value
20.0851
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.481
Statistical Significance
0.0066
Supporting Reference Compounds
201
E-value
51.1469
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.481
Statistical Significance
0.0061
Supporting Reference Compounds
102
E-value
47.8773
Estrogen-related receptor gamma structureClick to view 3D structureEstrogen-related receptor gammaP62508HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.481
Statistical Significance
5.80e-04
Supporting Reference Compounds
18
E-value
4.51525
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.481
Statistical Significance
0.0011
Supporting Reference Compounds
47
E-value
8.32987
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.333
Statistical Significance
0.0392
Supporting Reference Compounds
472
E-value
305.558
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.333
Statistical Significance
0.0269
Supporting Reference Compounds
332
E-value
209.414
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.349
Statistical Significance
0.0324
Supporting Reference Compounds
373
E-value
252.231
Succinate-semialdehyde dehydrogenase, mitochondrial structureClick to view 3D structureSuccinate-semialdehyde dehydrogenase, mitochondrialP51649HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.313
Statistical Significance
0.0475
Supporting Reference Compounds
407
E-value
369.94
Carbonic anhydrase 3 structureClick to view 3D structureCarbonic anhydrase 3P07451HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.333
Statistical Significance
0.0071
Supporting Reference Compounds
64
E-value
54.9616
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.319
Statistical Significance
0.0438
Supporting Reference Compounds
385
E-value
341.369
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.319
Statistical Significance
0.0318
Supporting Reference Compounds
310
E-value
247.561
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.313
Statistical Significance
0.0519
Supporting Reference Compounds
372
E-value
403.882
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.481
Statistical Significance
0.1952
Supporting Reference Compounds
1157
E-value
1519.62
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.314
Statistical Significance
0.0792
Supporting Reference Compounds
593
E-value
616.799
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.306
Statistical Significance
0.033
Supporting Reference Compounds
242
E-value
257.136
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.314
Statistical Significance
0.0698
Supporting Reference Compounds
506
E-value
543.465
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.314
Statistical Significance
0.072
Supporting Reference Compounds
487
E-value
560.67
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
21.4085
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.481
Statistical Significance
0.0763
Supporting Reference Compounds
536
E-value
593.834
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 structureClick to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 1P04191Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.481
Statistical Significance
1.50e-04
Supporting Reference Compounds
15
E-value
1.16774
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.314
Statistical Significance
0.0706
Supporting Reference Compounds
451
E-value
549.615
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.7376
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available