9H-Fluorene, 9,9-dimethyl- (CED0184736)

Record Information
Version1.0
Creation Date2026-04-06 02:52:16 UTC
Update Date2026-04-17 17:16:13 UTC
SynCED IDCED0184736
Secondary Accession Numbers
  • CHEM115684
Identification
Common Name9H-Fluorene, 9,9-dimethyl-
ClassSmall Molecule
Description
9H-Fluorene, 9,9-dimethyl- is an organic compound with the formula C15H14 and an average molecular weight of 194.28 g/mol. 9H-Fluorene, 9,9-dimethyl- belongs to the fluorenes, a class of benzenoids within the organic compounds. The compound is found in or released from five recorded sources. These include food contact materials used in food, cookware, and food processing, as well as electrical and electronic equipment such as magnets, communication cables or conductors, coils, and radio transmission systems. Recorded exposure routes for this substance include oral, inhalation, and touch.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H14
Average Molecular Mass194.277 g/mol
Monoisotopic Mass194.110 g/mol
CAS Registry Number4569-45-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1(C)C2=CC=CC=C2C2=CC=CC=C12
InChI IdentifierInChI=1S/C15H14/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3
InChI KeyZHQNDEHZACHHTA-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
2550.0 Log mg/kg [1400:4500]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
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
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.Electrical & Electronic EquipmentPubChem
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 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
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 EquipmentPubChem
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 EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
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
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
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
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
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.318
Statistical Significance
0.0247
Supporting Reference Compounds
241
E-value
192.288
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.318
Statistical Significance
0.0016
Supporting Reference Compounds
60
E-value
12.378
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.304
Statistical Significance
0.0071
Supporting Reference Compounds
108
E-value
55.1172
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.318
Statistical Significance
0.0068
Supporting Reference Compounds
112
E-value
52.8596
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.318
Statistical Significance
0.0074
Supporting Reference Compounds
55
E-value
57.5306
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.333
Statistical Significance
0.0404
Supporting Reference Compounds
215
E-value
314.667
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.296 Low confidence
Statistical Significance
0.2297
Supporting Reference Compounds
674
E-value
1787.96
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.304
Statistical Significance
0.1025
Supporting Reference Compounds
315
E-value
797.799
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.318
Statistical Significance
0.0679
Supporting Reference Compounds
296
E-value
528.908
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.296 Low confidence
Statistical Significance
0.2393
Supporting Reference Compounds
637
E-value
1862.85
Receptor-type tyrosine-protein phosphatase C structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase CP08575HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.318
Statistical Significance
0.007
Supporting Reference Compounds
45
E-value
54.3388
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.318
Statistical Significance
0.1102
Supporting Reference Compounds
234
E-value
857.665
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.379
Statistical Significance
0.016
Supporting Reference Compounds
70
E-value
124.403
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.304
Statistical Significance
0.007
Supporting Reference Compounds
50
E-value
54.1831
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.318
Statistical Significance
0.0143
Supporting Reference Compounds
80
E-value
111.558
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.275 Low confidence
Statistical Significance
0.028
Supporting Reference Compounds
104
E-value
217.666
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.318
Statistical Significance
0.1549
Supporting Reference Compounds
425
E-value
1206.12
Protein S100-A4 structureClick to view 3D structureProtein S100-A4P26447HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.318
Statistical Significance
0.0013
Supporting Reference Compounds
8
E-value
9.809
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4854
Supporting Reference Compounds
1301
E-value
3778.57
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1381
Supporting Reference Compounds
266
E-value
1075.02
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.286 Low confidence
Statistical Significance
0.3893
Supporting Reference Compounds
708
E-value
3030.75
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.286 Low confidence
Statistical Significance
0.162
Supporting Reference Compounds
340
E-value
1260.85
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.286 Low confidence
Statistical Significance
0.5
Supporting Reference Compounds
1157
E-value
3892.15
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4032
Supporting Reference Compounds
764
E-value
3138.8
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4761
Supporting Reference Compounds
1017
E-value
3706.79
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available