2-(2-dodecoxyethoxy)ethyl benzoate (CED0287991)

Record Information
Version1.0
Creation Date2026-08-30 20:25:04 UTC
Update Date2026-08-30 20:25:04 UTC
SynCED IDCED0287991
Secondary Accession Numbers
  • CHEM333445
Identification
Common Name2-(2-dodecoxyethoxy)ethyl benzoate
ClassSmall Molecule
Description
2-(2-dodecoxyethoxy)ethyl benzoate is a chemical compound with the formula C23H38O4. It has an average molecular weight of 378.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H38O4
Average Molecular MassNot Available
Monoisotopic Mass378.277 g/mol
CAS Registry Number56992-68-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCOCCOCCOC(=O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-17-25-18-19-26-20-21-27-23(24)22-15-12-11-13-16-22/h11-13,15-16H,2-10,14,17-21H2,1H3
InChI KeyOAHKIYOTXOCPNI-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
13861.0 Log mg/kg [7800:25000]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
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
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
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
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.463
Applicability Domain
0.463
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Cyclic nucleotide-gated channel alpha-1 structureClick to view 3D structureCyclic nucleotide-gated channel alpha-1Q00194Bos taurusPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.408
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.473
Statistical Significance
0.0042
Supporting Reference Compounds
127
E-value
32.7745
Click to view 3D structureSqualene monooxygenaseP52020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.512
Statistical Significance
8.00e-05
Supporting Reference Compounds
12
E-value
0.622794
Click to view 3D structureCytosolic phospholipase A2 betaP0C869HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.413
Statistical Significance
2.70e-04
Supporting Reference Compounds
4
E-value
2.10193
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.512
Statistical Significance
0.0067
Supporting Reference Compounds
201
E-value
52.3147
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
6.40e-04
Supporting Reference Compounds
1
E-value
4.98235
Click to view 3D structureHistamine H3 receptorQ9JI35Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.412
Statistical Significance
0.0025
Supporting Reference Compounds
56
E-value
19.8516
Click to view 3D structureHistamine H2 receptorP47747Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.412
Statistical Significance
0.0012
Supporting Reference Compounds
45
E-value
9.10836
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.408
Statistical Significance
0.033
Supporting Reference Compounds
562
E-value
256.825
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.412
Statistical Significance
0.0048
Supporting Reference Compounds
80
E-value
37.4455
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.39
Statistical Significance
4.50e-04
Supporting Reference Compounds
40
E-value
3.50322
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.39
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.413
Statistical Significance
0.005
Supporting Reference Compounds
102
E-value
38.9246
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.352
Statistical Significance
0.0155
Supporting Reference Compounds
385
E-value
121.056
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.352
Statistical Significance
0.0138
Supporting Reference Compounds
373
E-value
107.588
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.39
Statistical Significance
2.90e-04
Supporting Reference Compounds
20
E-value
2.25763
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.317
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.4318
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.339
Statistical Significance
0.0123
Supporting Reference Compounds
192
E-value
95.9881
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.315
Statistical Significance
7.30e-04
Supporting Reference Compounds
1
E-value
5.68299
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.362
Statistical Significance
0.0064
Supporting Reference Compounds
296
E-value
49.9014
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.352
Statistical Significance
0.0149
Supporting Reference Compounds
203
E-value
115.995
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.37
Statistical Significance
0.0131
Supporting Reference Compounds
215
E-value
102.372
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.317
Statistical Significance
0.0211
Supporting Reference Compounds
391
E-value
164.106
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available