1-(4-Cyclohexylphenyl)ethan-1-one (CED0050692)

Record Information
Version1.0
Creation Date2026-04-03 16:28:27 UTC
Update Date2026-08-19 06:30:14 UTC
Accession NumberCHEM066064
Identification
Common Name1-(4-Cyclohexylphenyl)ethan-1-one
ClassSmall Molecule
Description
1-(4-Cyclohexylphenyl)ethan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C14H18O1 and an average molecular weight of 202.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H18O1
Average Molecular Mass202.297 g/mol
Monoisotopic Mass202.136 g/mol
CAS Registry Number18594-05-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)C1=CC=C(C=C1)C1CCCCC1
InChI IdentifierInChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChI KeyMSDQNIRGPBARGC-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2668.0Log mg/kg[1500:4700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
519ElectrodesElectrical & Electronic EquipmentNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
716ErasersPaper, pulp & fiber productsNot Available
726PensPaper, pulp & fiber productsNot Available
729StampsPaper, pulp & fiber productsNot Available
739InksPaper, pulp & fiber productsNot Available
740PaperPaper, pulp & fiber productsNot Available
741Pigment PastesPaper, pulp & fiber productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Isoprenyl transferase structureClick to view 3D structureIsoprenyl transferaseQ97SR4Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)Predicted (SEA)2.64687
Click to view 3D structureChemokine receptorQ9MYJ9Oryctolagus cuniculusPredicted (SEA)18.5281
Vesicular acetylcholine transporter structureClick to view 3D structureVesicular acetylcholine transporterQ16572HumansPredicted (SEA)20.7079
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)220.547
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)318.715
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1435.93
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)758.174
Click to view 3D structureO-acyltransferaseA0A8I3N393Canis lupus familiarisPredicted (SEA)3.34752
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)261.573
Click to view 3D structureVesicular acetylcholine transporterQ62666Rattus norvegicusPredicted (SEA)18.3724
Click to view 3D structureP2Y purinoceptor 14Q15391HumansPredicted (SEA)40.0924
Signal transducer and activator of transcription 3 structureClick to view 3D structureSignal transducer and activator of transcription 3P40763HumansPredicted (SEA)71.3877
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1276.1
Click to view 3D structureVesicular acetylcholine transporterP81721Torpedo californicaPredicted (SEA)17.5939
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)226.308
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1504.28
Click to view 3D structureP2Y purinoceptor 14Q9ESG6Mus musculusPredicted (SEA)18.061
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)2402.82
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)1780.96
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)634.783
Low-density lipoprotein receptor structureClick to view 3D structureLow-density lipoprotein receptorP01130HumansPredicted (SEA)29.8163
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)3437.04
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)1505.14
3',5'-cyclic-AMP phosphodiesterase 4D structureClick to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4DQ08499HumansPredicted (SEA)252.231
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)664.988
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available