2-naphthalen-1-ylphenol (CED0186180)

Record Information
Version1.0
Creation Date2026-08-19 14:06:36 UTC
Update Date2026-08-19 14:06:36 UTC
SynCED IDCED0186180
Secondary Accession Numbers
  • CHEM187367
Identification
Common Name2-naphthalen-1-ylphenol
ClassSmall Molecule
Description
2-naphthalen-1-ylphenol is an organic compound with the formula C16H12O and an average molecular weight of 220.26 g/mol. 2-naphthalen-1-ylphenol belongs to the naphthalenes, a class of benzenoids within the organic compounds. This substance has been found in or released from two recorded sources, specifically electrical and electronic equipment such as antennas and emergency protective devices.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H12O
Average Molecular Mass220.260 g/mol
Monoisotopic Mass220.089 g/mol
CAS Registry Number101277-90-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C16H12O/c17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChI KeyNTRXCTZXSALJEY-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
2501.0 Log mg/kg [1400:4400]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
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 EquipmentPubChem
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 EquipmentPubChem
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
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 EquipmentPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peptidoglycan-N-acetylglucosamine deacetylase BC_1974 structureClick to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylase BC_1974Q81EJ6Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 /NCIMB 9373 / NRRL B-3711)Predicted (SEA)
Prediction Confidence Score
0.417
Applicability Domain
0.417
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.406
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.652
Statistical Significance
0.0142
Supporting Reference Compounds
793
E-value
110.702
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.652
Statistical Significance
0.0021
Supporting Reference Compounds
78
E-value
16.2705
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.417
Statistical Significance
0.0019
Supporting Reference Compounds
108
E-value
14.5578
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.409
Statistical Significance
0.0181
Supporting Reference Compounds
472
E-value
140.907
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.485
Statistical Significance
0.0054
Supporting Reference Compounds
296
E-value
42.2721
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.409
Statistical Significance
0.0218
Supporting Reference Compounds
332
E-value
170.101
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.433
Statistical Significance
0.013
Supporting Reference Compounds
215
E-value
101.438
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.417
Statistical Significance
0.0157
Supporting Reference Compounds
425
E-value
122.223
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.361
Statistical Significance
0.0016
Supporting Reference Compounds
104
E-value
12.4559
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.361
Statistical Significance
0.0021
Supporting Reference Compounds
93
E-value
16.4262
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.361
Statistical Significance
0.0095
Supporting Reference Compounds
118
E-value
74.1125
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.375
Statistical Significance
0.0365
Supporting Reference Compounds
407
E-value
284.539
Click to view 3D structureThymidylate synthaseC3SWJ7Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.341
Statistical Significance
0.0014
Supporting Reference Compounds
24
E-value
10.8989
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.357
Statistical Significance
0.0549
Supporting Reference Compounds
565
E-value
427.548
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.314
Statistical Significance
0.0341
Supporting Reference Compounds
337
E-value
265.154
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.353
Statistical Significance
0.015
Supporting Reference Compounds
201
E-value
116.93
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.344
Statistical Significance
0.001
Supporting Reference Compounds
50
E-value
8.17417
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.361
Statistical Significance
0.0155
Supporting Reference Compounds
125
E-value
120.9
NAD-dependent histone deacetylase SIR2 structureClick to view 3D structureNAD-dependent histone deacetylase SIR2P06700Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.29 Low confidence
Statistical Significance
1.80e-04
Supporting Reference Compounds
1
E-value
1.40129
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.353
Statistical Significance
0.0148
Supporting Reference Compounds
174
E-value
115.061
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.409
Statistical Significance
0.0019
Supporting Reference Compounds
47
E-value
14.8692
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.314
Statistical Significance
0.067
Supporting Reference Compounds
541
E-value
521.979
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0097
Supporting Reference Compounds
88
E-value
75.358
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available