1-(2-Naphthyl)propan-1-one (CED0067910)

Record Information
Version1.0
Creation Date2026-04-04 08:52:09 UTC
Update Date2026-04-04 08:52:09 UTC
SynCED IDCED0067910
Secondary Accession Numbers
  • CHEM073147
Identification
Common Name1-(2-Naphthyl)propan-1-one
ClassSmall Molecule
Description
1-(2-Naphthyl)propan-1-one is an organic compound with the formula C13H12O1 and an average molecular weight of 184.24 g/mol. 1-(2-Naphthyl)propan-1-one belongs to the naphthalenes, a class of benzenoids within the organic compounds. This substance has been identified in or released from one recorded source, specifically electrical and electronic equipment in the form of discharge lamps.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H12O1
Average Molecular Mass184.238 g/mol
Monoisotopic Mass184.089 g/mol
CAS Registry Number6315-96-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(=O)C1=CC2=CC=CC=C2C=C1
InChI IdentifierInChI=1S/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChI KeyQLYPHTMKMPIJNG-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
1570.0 Log mg/kg [880:2800]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
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
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.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
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.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
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsPubChem
CEDs000729Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.Paper, pulp & fiber productsPubChem
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
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.515
Statistical Significance
0.0047
Supporting Reference Compounds
215
E-value
36.5891
Click to view 3D structureProtein-glutamine gamma-glutamyltransferaseQ7M0F8Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.488
Statistical Significance
1.20e-04
Supporting Reference Compounds
2
E-value
0.934191
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.367
Applicability Domain
0.469
Statistical Significance
0.0031
Supporting Reference Compounds
151
E-value
23.9776
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.515
Statistical Significance
0.0431
Supporting Reference Compounds
1130
E-value
335.842
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.515
Statistical Significance
0.0453
Supporting Reference Compounds
1301
E-value
352.579
Chromodomain Y-like protein structureClick to view 3D structureChromodomain Y-like proteinQ9Y232HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.465
Statistical Significance
1.30e-04
Supporting Reference Compounds
8
E-value
1.01204
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.469
Statistical Significance
0.0058
Supporting Reference Compounds
112
E-value
44.9968
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.45
Statistical Significance
0.0025
Supporting Reference Compounds
118
E-value
19.3845
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.341
Statistical Significance
4.60e-04
Supporting Reference Compounds
1
E-value
3.58106
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abK9N7C7Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)Predicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.515
Statistical Significance
1.30e-04
Supporting Reference Compounds
48
E-value
1.01204
Cyclin-dependent kinase 4 structureClick to view 3D structureCyclin-dependent kinase 4P11802HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.515
Statistical Significance
0.0144
Supporting Reference Compounds
233
E-value
111.947
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.352
Statistical Significance
0.0189
Supporting Reference Compounds
376
E-value
146.824
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.373
Statistical Significance
0.0289
Supporting Reference Compounds
524
E-value
224.906
Transcription factor SOX-18 structureClick to view 3D structureTranscription factor SOX-18P43680Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Click to view 3D structureTranscription factor SOX-18P35713HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.352
Statistical Significance
0.0389
Supporting Reference Compounds
861
E-value
302.522
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.352
Statistical Significance
0.051
Supporting Reference Compounds
1103
E-value
397.031
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.38
Statistical Significance
0.0213
Supporting Reference Compounds
506
E-value
166.13
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.357
Statistical Significance
0.022
Supporting Reference Compounds
195
E-value
171.658
Click to view 3D structureSecernin-3Q0VDG4HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.324
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.351
Statistical Significance
0.0313
Supporting Reference Compounds
686
E-value
243.512
Click to view 3D structureD(3) dopamine receptorP19020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.339
Statistical Significance
0.0161
Supporting Reference Compounds
145
E-value
125.337
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.345
Statistical Significance
0.0442
Supporting Reference Compounds
562
E-value
344.094
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.38
Statistical Significance
0.035
Supporting Reference Compounds
593
E-value
272.239
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.38
Statistical Significance
0.0239
Supporting Reference Compounds
451
E-value
186.371
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available