[(P-dodecylphenoxy)methyl]oxirane (CED0071511)

Record Information
Version1.0
Creation Date2026-04-05 02:08:07 UTC
Update Date2026-04-05 02:08:07 UTC
SynCED IDCED0071511
Secondary Accession Numbers
  • CHEM089333
Identification
Common Name[(P-dodecylphenoxy)methyl]oxirane
ClassSmall Molecule
Description
[(P-dodecylphenoxy)methyl]oxirane belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C21H34O2 and an average molecular weight of 318.50 g/mol. It has been identified in or released from one recorded source: building and construction floors.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H34O2
Average Molecular Mass318.501 g/mol
Monoisotopic Mass318.256 g/mol
CAS Registry Number34649-59-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCC1=CC=C(OCC2CO2)C=C1
InChI IdentifierInChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-17-21-18-23-21/h13-16,21H,2-12,17-18H2,1H3
InChI KeyMSWONMWDQHSVIY-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
7581.0 Log mg/kg [4300:13000]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
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot 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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot 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 structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.447
Applicability Domain
0.447
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Trehalose-phosphatase structureClick to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.404
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.378
Statistical Significance
2.00e-04
Supporting Reference Compounds
2
E-value
1.55698
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
0.356
Applicability Domain
0.356
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
11.0546
Click to view 3D structureLysophosphatidic acid receptor 3Q8K5E0Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.509
Statistical Significance
3.00e-05
Supporting Reference Compounds
4
E-value
0.233548
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.415
Statistical Significance
0.0033
Supporting Reference Compounds
102
E-value
25.3788
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.447
Statistical Significance
0.0213
Supporting Reference Compounds
593
E-value
165.585
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.509
Statistical Significance
0.0011
Supporting Reference Compounds
40
E-value
8.25202
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.447
Statistical Significance
0.0148
Supporting Reference Compounds
391
E-value
114.983
Click to view 3D structureSphingosine-1-phosphate transporter SPNS2Q91VM4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.80e-04
Supporting Reference Compounds
1
E-value
2.17978
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.447
Statistical Significance
0.02
Supporting Reference Compounds
506
E-value
155.387
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.447
Statistical Significance
0.0088
Supporting Reference Compounds
201
E-value
68.4295
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.378
Statistical Significance
0.0047
Supporting Reference Compounds
126
E-value
36.5113
Sphingosine 1-phosphate receptor 3 structureClick to view 3D structureSphingosine 1-phosphate receptor 3Q99500HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.378
Statistical Significance
0.0026
Supporting Reference Compounds
59
E-value
20.1629
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.378
Statistical Significance
0.0023
Supporting Reference Compounds
117
E-value
17.6718
Sphingosine 1-phosphate receptor 2 structureClick to view 3D structureSphingosine 1-phosphate receptor 2O95136HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.378
Statistical Significance
0.0017
Supporting Reference Compounds
79
E-value
13.1565
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.447
Statistical Significance
0.0277
Supporting Reference Compounds
487
E-value
215.876
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.447
Statistical Significance
0.018
Supporting Reference Compounds
118
E-value
140.44
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.447
Statistical Significance
0.0278
Supporting Reference Compounds
451
E-value
216.81
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.36
Statistical Significance
9.20e-04
Supporting Reference Compounds
30
E-value
7.16213
Sphingosine-1-phosphate transporter SPNS2 structureClick to view 3D structureSphingosine-1-phosphate transporter SPNS2Q8IVW8HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.309
Statistical Significance
4.20e-04
Supporting Reference Compounds
1
E-value
3.26967
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.447
Statistical Significance
0.0557
Supporting Reference Compounds
823
E-value
433.62
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.318
Statistical Significance
0.0621
Supporting Reference Compounds
825
E-value
483.366
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.318
Statistical Significance
0.0697
Supporting Reference Compounds
793
E-value
542.92
Uracil-DNA glycosylase structureClick to view 3D structureUracil-DNA glycosylaseP13051HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available