Undecylcyclohexane (CED0035953)

Record Information
Version1.0
Creation Date2026-04-04 04:21:04 UTC
Update Date2026-08-19 22:23:35 UTC
SynCED IDCED0035953
Secondary Accession Numbers
  • CHEM071417
Identification
Common NameUndecylcyclohexane
ClassSmall Molecule
Description
Undecylcyclohexane is an organic compound with the formula C17H34 and an average molecular weight of 238.46 g/mol. Undecylcyclohexane belongs to the cycloalkanes, a subclass of saturated hydrocarbons within the organic compounds. This substance is present in polyethylene terephthalate plastics. It has been identified in three recorded sources, including indoor air via air, dust, and atmospheric transport; food contact materials from food, food processing, and cookware; and electric switches within electrical and electronic equipment. Recorded exposure routes for the compound include oral, inhalation, and touch.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H34
Average Molecular Mass238.459 g/mol
Monoisotopic Mass238.266 g/mol
CAS Registry Number54105-66-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCC1CCCCC1
InChI IdentifierInChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3
InChI KeyXQQVOBPJWHQXEN-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
6952.0 Log mg/kg [3900:12000]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
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot 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 EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
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 structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.308
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.29 Low confidence
Statistical Significance
1.10e-04
Supporting Reference Compounds
1
E-value
0.856341
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.314
Statistical Significance
5.90e-04
Supporting Reference Compounds
25
E-value
4.5931
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.31
Statistical Significance
0.0406
Supporting Reference Compounds
266
E-value
316.146
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Guanine nucleotide-binding protein G(o) subunit alpha structureClick to view 3D structureGuanine nucleotide-binding protein G(o) subunit alphaP09471HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.289 Low confidence
Statistical Significance
2.10e-04
Supporting Reference Compounds
2
E-value
1.63483
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0023
Supporting Reference Compounds
40
E-value
18.2946
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
7.40e-04
Supporting Reference Compounds
1
E-value
5.76084
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0429
Supporting Reference Compounds
127
E-value
333.895
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
4.80e-04
Supporting Reference Compounds
2
E-value
3.73676
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.314
Statistical Significance
1.00e-03
Supporting Reference Compounds
35
E-value
7.78492
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.273 Low confidence
Statistical Significance
8.70e-04
Supporting Reference Compounds
15
E-value
6.77288
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.273 Low confidence
Statistical Significance
8.40e-04
Supporting Reference Compounds
14
E-value
6.53933
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.286 Low confidence
Statistical Significance
5.40e-04
Supporting Reference Compounds
4
E-value
4.20386
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0468
Supporting Reference Compounds
106
E-value
364.257
Click to view 3D structureLysosomal alpha-glucosidaseP70699Mus musculusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.314
Statistical Significance
4.80e-04
Supporting Reference Compounds
7
E-value
3.73676
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.281 Low confidence
Statistical Significance
6.70e-04
Supporting Reference Compounds
2
E-value
5.2159
Guanine nucleotide-binding protein G(i) subunit alpha-1 structureClick to view 3D structureGuanine nucleotide-binding protein G(i) subunit alpha-1P63096HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.268 Low confidence
Statistical Significance
8.20e-04
Supporting Reference Compounds
2
E-value
6.38364
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.31
Statistical Significance
0.0919
Supporting Reference Compounds
373
E-value
715.824
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.31
Statistical Significance
0.0718
Supporting Reference Compounds
297
E-value
559.347
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.31
Statistical Significance
0.0976
Supporting Reference Compounds
385
E-value
760.12
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.313
Statistical Significance
0.1904
Supporting Reference Compounds
861
E-value
1482.09
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.308
Statistical Significance
0.0685
Supporting Reference Compounds
192
E-value
533.579
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
20
E-value
10.4318
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.31
Statistical Significance
0.062
Supporting Reference Compounds
207
E-value
482.432
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available