1,4-Dimethylcyclopentene (CED0189235)

Record Information
Version1.0
Creation Date2026-04-04 22:17:10 UTC
Update Date2026-04-04 22:17:10 UTC
Accession NumberCHEM083438
Identification
Common Name1,4-Dimethylcyclopentene
ClassSmall Molecule
Description
1,4-Dimethylcyclopentene (C7H12) is a chemical compound. 1,4-Dimethylcyclopentene belongs to the branched unsaturated hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This substance has been identified in or released from two recorded sources, which include household cleaning and consumer products, specifically pipe accessories and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H12
Average Molecular MassNot Available
Monoisotopic Mass96.094 g/mol
CAS Registry Number19550-48-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C7H12/c1-6-3-4-7(2)5-6/h3,7H,4-5H2,1-2H3
InChI KeyYYDXWNZZLPCQSL-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
2256.0Log mg/kg[1300:4000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSpermidine synthaseQ6QA75Sus scrofaPredicted (SEA)1.01204
Click to view 3D structureSpermidine synthaseQ4CXJ6Trypanosoma cruzi (strain CL Brener)Predicted (SEA)1.01204
Click to view 3D structureSpermidine synthaseQ9NFS5Plasmodium falciparumPredicted (SEA)1.01204
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)4238.58
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)1405.18
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)5216.52
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)1553.33
Nitric oxide synthase 3 structureClick to view 3D structureNitric oxide synthase 3P29474HumansPredicted (SEA)860.156
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)6718.39
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)4216.39
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7456.87
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)2464.78
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)2636.13
Taste receptor type 2 member 46 structureClick to view 3D structureTaste receptor type 2 member 46P59540HumansPredicted (SEA)1.79053
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7520.55
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7607.89
Click to view 3D structureD(2) dopamine receptorP20288Bos taurusPredicted (SEA)4346.01
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7534.17
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)7615.06
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7453.21
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)7472.12
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7417.24
Click to view 3D structureCytochrome b-c1 complex subunit Rieske, mitochondrialG2YM83Botryotinia fuckeliana (strain T4) (Noble rot fungus) (Botrytiscinerea)Predicted (SEA)1589.06
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)7212.19
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)4170.38
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available