2-cyclohexyloxyacetic acid (CED0212061)

Record Information
Version1.0
Creation Date2026-08-24 15:37:48 UTC
Update Date2026-08-24 15:37:48 UTC
SynCED IDCED0212061
Secondary Accession Numbers
  • CHEM251307
Identification
Common Name2-cyclohexyloxyacetic acid
ClassSmall Molecule
Description
2-cyclohexyloxyacetic acid belongs to the carboxylic acids, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C8H14O3 and an average molecular weight of 158.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H14O3
Average Molecular Mass158.190 g/mol
Monoisotopic Mass158.094 g/mol
CAS Registry Number71995-54-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChI KeyGOLVMRZULJWHGT-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
2819.0 Log mg/kg [1600:5000]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementNot Available
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
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 processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.357
Statistical Significance
0.007
Supporting Reference Compounds
81
E-value
54.3388
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1599
Supporting Reference Compounds
472
E-value
1245.12
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1132
Supporting Reference Compounds
332
E-value
881.253
Beta-lactamase VIM-1 structureClick to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.278 Low confidence
Statistical Significance
0.167
Supporting Reference Compounds
400
E-value
1300.16
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.242 Low confidence
Statistical Significance
3.10e-04
Supporting Reference Compounds
1
E-value
2.41333
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.357
Statistical Significance
0.0307
Supporting Reference Compounds
61
E-value
239.153
Click to view 3D structureSodium- and chloride-dependent betaine transporterP48065HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.265 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
8
E-value
1.01204
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0154
Supporting Reference Compounds
41
E-value
119.576
Diphosphomevalonate decarboxylase structureClick to view 3D structureDiphosphomevalonate decarboxylaseP53602HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.239 Low confidence
Statistical Significance
8.30e-04
Supporting Reference Compounds
1
E-value
6.46149
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1905
Supporting Reference Compounds
407
E-value
1483.18
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.278 Low confidence
Statistical Significance
0.189
Supporting Reference Compounds
372
E-value
1471.12
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.357
Statistical Significance
0.0711
Supporting Reference Compounds
95
E-value
553.352
Click to view 3D structureEpoxide hydrolase 1P07099HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.256 Low confidence
Statistical Significance
0.0287
Supporting Reference Compounds
18
E-value
223.349
Click to view 3D structureEpoxide hydrolase 1Q9D379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.256 Low confidence
Statistical Significance
0.0096
Supporting Reference Compounds
8
E-value
74.4239
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1952
Supporting Reference Compounds
200
E-value
1519.77
Thromboxane A2 receptor structureClick to view 3D structureThromboxane A2 receptorP21731HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.357
Statistical Significance
0.1021
Supporting Reference Compounds
96
E-value
794.918
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.357
Statistical Significance
0.7332
Supporting Reference Compounds
1130
E-value
5708.06
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.278 Low confidence
Statistical Significance
0.2734
Supporting Reference Compounds
292
E-value
2128.55
Click to view 3D structureSodium- and chloride-dependent GABA transporter 3P48066HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.265 Low confidence
Statistical Significance
0.0086
Supporting Reference Compounds
11
E-value
66.7946
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.244 Low confidence
Statistical Significance
0.3554
Supporting Reference Compounds
385
E-value
2766.76
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.244 Low confidence
Statistical Significance
0.273
Supporting Reference Compounds
297
E-value
2124.97
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.244 Low confidence
Statistical Significance
0.2633
Supporting Reference Compounds
266
E-value
2049.69
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.265 Low confidence
Statistical Significance
0.2636
Supporting Reference Compounds
258
E-value
2052.26
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.244 Low confidence
Statistical Significance
0.1182
Supporting Reference Compounds
109
E-value
920.1
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available