[(P-isopropylphenoxy)methyl]oxirane (CED0104071)

Record Information
Version1.0
Creation Date2026-04-04 22:19:24 UTC
Update Date2026-04-04 22:19:24 UTC
Accession NumberCHEM083514
Identification
Common Name[(P-isopropylphenoxy)methyl]oxirane
ClassSmall Molecule
Description
[(P-isopropylphenoxy)methyl]oxirane belongs to the cumenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H16O2 and an average molecular weight of 192.26 g/mol. It has been identified in or released from two recorded sources, specifically electrical and electronic equipment such as thin magnetic films and cores, yokes, or armatures.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H16O2
Average Molecular Mass192.258 g/mol
Monoisotopic Mass192.115 g/mol
CAS Registry Number2210-72-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C1=CC=C(OCC2CO2)C=C1
InChI IdentifierInChI=1/C12H16O2/c1-9(2)10-3-5-11(6-4-10)13-7-12-8-14-12/h3-6,9,12H,7-8H2,1-2H3
InChI KeyZKNXNFSTVHLT-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
2521.0Log mg/kg[1400:4500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)711.775
Click to view 3D structureD(4) dopamine receptorP51436Mus musculusPredicted (SEA)13.2344
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)879.307
Click to view 3D structure5-hydroxytryptamine receptor 2AP35363Mus musculusPredicted (SEA)94.5868
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)48.3444
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)1071.67
Click to view 3D structureHydrolase, alpha/beta hydrolase fold familyO69638Mycobacterium tuberculosisPredicted (SEA)14.1686
Click to view 3D structureD(2) dopamine receptorP61168Mus musculusPredicted (SEA)39.236
Click to view 3D structureAlpha-1A adrenergic receptorP97718Mus musculusPredicted (SEA)7.00643
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)39.0803
Click to view 3D structure5-hydroxytryptamine receptor 1AQ64264Mus musculusPredicted (SEA)161.926
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)3675.03
Click to view 3D structure5-hydroxytryptamine receptor 2BQ02152Mus musculusPredicted (SEA)36.667
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)1061.55
Click to view 3D structureAlpha-1D adrenergic receptorP97714Mus musculusPredicted (SEA)11.8331
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1449.47
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)1891.42
Click to view 3D structureD(1A) dopamine receptorQ61616Mus musculusPredicted (SEA)71.0763
Click to view 3D structure5-hydroxytryptamine receptor 2CP34968Mus musculusPredicted (SEA)10.5096
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP35375Mus musculusPredicted (SEA)61.0338
Click to view 3D structureProstaglandin E2 receptor EP3 subtypeP30557Mus musculusPredicted (SEA)80.1068
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP32240Mus musculusPredicted (SEA)87.5025
Click to view 3D structureProstaglandin D2 receptorP70263Mus musculusPredicted (SEA)54.4945
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)522.446
Click to view 3D structureCytochrome P450 2A2P15149RatPredicted (SEA)19.8516
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available