(1-Methoxyethyl)cyclohexane (CED0064123)

Record Information
Version1.0
Creation Date2026-04-05 01:22:25 UTC
Update Date2026-09-01 16:31:11 UTC
SynCED IDCED0064123
Secondary Accession Numbers
  • CHEM088185
Identification
Common Name(1-Methoxyethyl)cyclohexane
ClassSmall Molecule
Description
(1-Methoxyethyl)cyclohexane belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It is an organic oxygen compound with the chemical formula C9H18O and an average molecular weight of 142.24 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H18O
Average Molecular Mass142.242 g/mol
Monoisotopic Mass142.136 g/mol
CAS Registry Number67810-86-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC(C)C1CCCCC1
InChI IdentifierInChI=1/C9H18O/c1-8(10-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChI KeyZNPFXBUKHUJVKH-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
2279.0 Log mg/kg [1300:4100]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
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.375
Statistical Significance
0.281
Supporting Reference Compounds
472
E-value
2187.87
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.375
Statistical Significance
0.2391
Supporting Reference Compounds
407
E-value
1861.06
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.375
Statistical Significance
0.2212
Supporting Reference Compounds
332
E-value
1721.87
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.375
Statistical Significance
0.3472
Supporting Reference Compounds
400
E-value
2702.69
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.375
Statistical Significance
0.2923
Supporting Reference Compounds
372
E-value
2275.84
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.281 Low confidence
Statistical Significance
0.4483
Supporting Reference Compounds
266
E-value
3490.14
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.281 Low confidence
Statistical Significance
0.4759
Supporting Reference Compounds
297
E-value
3705.0
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.281 Low confidence
Statistical Significance
0.5978
Supporting Reference Compounds
385
E-value
4653.59
Click to view 3D structureEpoxide hydrolase 1P07099HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0822
Supporting Reference Compounds
18
E-value
639.765
Click to view 3D structureEpoxide hydrolase 1Q9D379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0259
Supporting Reference Compounds
8
E-value
201.707
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.281 Low confidence
Statistical Significance
0.9268
Supporting Reference Compounds
1130
E-value
7214.91
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.244 Low confidence
Statistical Significance
0.578
Supporting Reference Compounds
258
E-value
4499.61
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.6774
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4754
Supporting Reference Compounds
93
E-value
3700.64
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.281 Low confidence
Statistical Significance
0.8119
Supporting Reference Compounds
562
E-value
6320.81
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5596
Supporting Reference Compounds
229
E-value
4356.68
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.281 Low confidence
Statistical Significance
0.8224
Supporting Reference Compounds
451
E-value
6402.4
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.207 Low confidence
Statistical Significance
0.8234
Supporting Reference Compounds
373
E-value
6410.18
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4752
Supporting Reference Compounds
110
E-value
3699.4
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.208 Low confidence
Statistical Significance
0.981
Supporting Reference Compounds
1538
E-value
7636.7
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.281 Low confidence
Statistical Significance
0.8146
Supporting Reference Compounds
310
E-value
6341.36
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.207 Low confidence
Statistical Significance
0.5444
Supporting Reference Compounds
207
E-value
4237.8
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.281 Low confidence
Statistical Significance
0.9788
Supporting Reference Compounds
1498
E-value
7619.96
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.208 Low confidence
Statistical Significance
0.9807
Supporting Reference Compounds
1245
E-value
7634.83
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.208 Low confidence
Statistical Significance
0.966
Supporting Reference Compounds
793
E-value
7520.47
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available