1,3,5-trimethylcyclohexene (CED0315368)

Record Information
Version1.0
Creation Date2026-09-01 15:58:56 UTC
Update Date2026-09-01 15:58:56 UTC
Accession NumberCHEM361307
Identification
Common Name1,3,5-trimethylcyclohexene
ClassSmall Molecule
Description
1,3,5-trimethylcyclohexene is a chemical compound with the formula C9H16 and an average molecular weight of 124.22 g/mol. It has been identified in or released from one recorded source, which consists of household cleaning and consumer products, specifically soap detergents.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H16
Average Molecular MassNot Available
Monoisotopic Mass124.125 g/mol
CAS Registry Number3643-64-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1CC(C=C(C1)C)C
InChI IdentifierInChI=1S/C9H16/c1-7-4-8(2)6-9(3)5-7/h4,7,9H,5-6H2,1-3H3
InChI KeyPKHOIUJRGGWFEF-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
2058.0Log mg/kg[1200:3700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
563Soap DetergentsHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
596AcaricidesAgriculture & land managementNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)2227.42
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)421.476
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)4183.15
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)3605.04
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)2298.34
Click to view 3D structureSpermidine synthaseQ6QA75Sus scrofaPredicted (SEA)1.55698
Click to view 3D structureSpermidine synthaseQ4CXJ6Trypanosoma cruzi (strain CL Brener)Predicted (SEA)1.55698
Click to view 3D structureSpermidine synthaseQ9NFS5Plasmodium falciparumPredicted (SEA)1.55698
Click to view 3D structureCytochrome b-c1 complex subunit Rieske, mitochondrialG2YM83Botryotinia fuckeliana (strain T4) (Noble rot fungus) (Botrytiscinerea)Predicted (SEA)863.192
Nitric oxide synthase 3 structureClick to view 3D structureNitric oxide synthase 3P29474HumansPredicted (SEA)1499.06
Click to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)3753.73
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)6437.74
Click to view 3D structureD(2) dopamine receptorP20288Bos taurusPredicted (SEA)4219.97
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)2899.34
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)7068.94
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7575.74
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7569.2
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7611.01
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)7119.62
Transient receptor potential cation channel subfamily M member 8 structureClick to view 3D structureTransient receptor potential cation channel subfamily M member 8Q7Z2W7HumansPredicted (SEA)5406.63
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)3665.84
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)4915.17
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7679.9
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7687.77
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7723.27
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available