[(O-allylphenoxy)methyl]oxirane (CED0126228)

Record Information

Version

1.0

Creation Date

2026-04-04 21:57:51 UTC

Update Date

2026-04-04 21:57:51 UTC

SynCED ID

CED0126228

Secondary Accession Numbers

CHEM082793

Identification

Common Name

[(O-allylphenoxy)methyl]oxirane

Class

Small Molecule

Description

[(O-allylphenoxy)methyl]oxirane belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C12H14O2. It has been identified in or released from three recorded sources, specifically within Electrical & Electronic Equipment, including antennas, coils, cores, yokes, or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

190.099 g/mol

CAS Registry Number

4638-04-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C12H14O2/c1-2-5-10-6-3-4-7-12(10)14-9-11-8-13-11/h2-4,6-7,11H,1,5,8-9H2

InChI Key

XENMLDGAMXHYMH-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2268.0 Log mg/kg [1300:4000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors 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 Equipment	PubChem
CEDs000513	Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip 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 & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.332 Applicability Domain 0.468 Statistical Significance 0.0411 Supporting Reference Compounds 953 E-value 320.194
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.468 Statistical Significance 0.0373 Supporting Reference Compounds 340 E-value 290.3
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.468 Statistical Significance 0.055 Supporting Reference Compounds 487 E-value 428.56
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.468 Statistical Significance 0.0418 Supporting Reference Compounds 386 E-value 325.176
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.429 Statistical Significance 0.0775 Supporting Reference Compounds 541 E-value 603.254
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.367 Statistical Significance 0.1327 Supporting Reference Compounds 506 E-value 1033.37
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.367 Statistical Significance 0.1221 Supporting Reference Compounds 451 E-value 950.305
Click to view 3D structure	5-hydroxytryptamine receptor 2B	Q02152	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.269 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 20 E-value 38.3018
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.275 Low confidence Statistical Significance 0.2962 Supporting Reference Compounds 1103 E-value 2306.28
Click to view 3D structure	Nischarin	Q9Y2I1	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.468 Statistical Significance 0.0026 Supporting Reference Compounds 37 E-value 20.1629
Click to view 3D structure	5-hydroxytryptamine receptor 1A	Q64264	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.265 Low confidence Statistical Significance 0.0271 Supporting Reference Compounds 52 E-value 211.049
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.275 Low confidence Statistical Significance 0.2865 Supporting Reference Compounds 861 E-value 2230.3
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.275 Low confidence Statistical Significance 0.2301 Supporting Reference Compounds 524 E-value 1791.62
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.429 Statistical Significance 0.1153 Supporting Reference Compounds 258 E-value 897.29
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.269 Low confidence Statistical Significance 0.1309 Supporting Reference Compounds 175 E-value 1018.97
Click to view 3D structure	Alpha-1D adrenergic receptor	P97714	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.265 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 7 E-value 24.289
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.2148 Supporting Reference Compounds 376 E-value 1671.97
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.1435 Supporting Reference Compounds 258 E-value 1116.98
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.1779 Supporting Reference Compounds 298 E-value 1385.25
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.25 Low confidence Statistical Significance 0.2523 Supporting Reference Compounds 528 E-value 1963.98
Click to view 3D structure	D(1A) dopamine receptor	Q61616	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.247 Low confidence Statistical Significance 0.0187 Supporting Reference Compounds 33 E-value 145.578
Click to view 3D structure	D(3) dopamine receptor	P30728	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.269 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 6 E-value 15.6477
Click to view 3D structure	D(4) dopamine receptor	P51436	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.246 Low confidence Statistical Significance 0.0074 Supporting Reference Compounds 16 E-value 57.9977
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.268 Low confidence Statistical Significance 0.4539 Supporting Reference Compounds 955 E-value 3533.73
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.268 Low confidence Statistical Significance 0.4379 Supporting Reference Compounds 823 E-value 3408.71