MCPB ethyl (CED0018843)

Record Information

Version

1.0

Creation Date

2026-04-03 11:56:23 UTC

Update Date

2026-08-19 00:54:48 UTC

SynCED ID

CED0018843

Secondary Accession Numbers

CHEM064099

Identification

Common Name

MCPB ethyl

Class

Small Molecule

Description

MCPB ethyl is an organic compound with the chemical formula C13H17Cl1O3 and an average molecular weight of 256.73 g/mol. MCPB ethyl belongs to the phenol ethers, a class of benzenoids within the organic compounds. This substance has been identified in or released from three recorded sources, specifically electrical and electronic equipment including antennas, electric switches, and video games.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₇Cl₁O₃

Average Molecular Mass

256.730 g/mol

Monoisotopic Mass

256.087 g/mol

CAS Registry Number

10443-70-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC(=O)CCCOC1=C(C)C=C(Cl)C=C1

InChI Identifier

InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3

InChI Key

XNKARWLGLZGMGX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol ethers

Sub Class

Not Available

Direct Parent

Phenol ethers

Alternative Parents

Substituents

Phenoxy compound
Phenol ether
Alkyl aryl ether
Chlorobenzene
Fatty acid ester
Halobenzene
Toluene
Aryl halide
Aryl chloride
Monocyclic benzene moiety
Fatty acyl
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organooxygen compound
Organochloride
Organohalogen compound
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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
1083.0 Log mg/kg [610:1900]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
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
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes 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 products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000629	Swings?Swings, commonly found in playgrounds and recreational areas, are often constructed using synthetic materials such as plastics and rubber composites.	Recreation & sports surfaces	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem
CEDs000706	Bookmarkers?Bookmarkers, often made from paper or cardstock, can be a source of synthetic chemical contamination due to the use of various inks, coatings, and adhesives in their production.	Paper, pulp & fiber products	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	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

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 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.309 Statistical Significance 0.0937 Supporting Reference Compounds 686 E-value 729.136
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.314 Statistical Significance 0.1353 Supporting Reference Compounds 955 E-value 1053.46
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.315 Statistical Significance 0.0091 Supporting Reference Compounds 96 E-value 70.5314
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.34 Statistical Significance 0.0377 Supporting Reference Compounds 241 E-value 293.18
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.321 Statistical Significance 0.0104 Supporting Reference Compounds 117 E-value 80.8075
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.314 Statistical Significance 0.0434 Supporting Reference Compounds 256 E-value 338.255
Click to view 3D structure	Sigma intracellular receptor 2	Q8VD00	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.34 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.352 Statistical Significance 0.0869 Supporting Reference Compounds 1245 E-value 676.198
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 2.60e-04 Supporting Reference Compounds 1 E-value 2.02408
Click to view 3D structure	Prostaglandin D2 receptor 2	Q9Y5Y4	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 0.0037 Supporting Reference Compounds 61 E-value 28.8042
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.352 Statistical Significance 0.181 Supporting Reference Compounds 1538 E-value 1409.15
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.352 Statistical Significance 0.1307 Supporting Reference Compounds 1130 E-value 1017.8
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.313 Statistical Significance 0.0058 Supporting Reference Compounds 78 E-value 45.0747
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.333 Statistical Significance 0.0053 Supporting Reference Compounds 81 E-value 40.9487
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.321 Statistical Significance 0.0163 Supporting Reference Compounds 166 E-value 126.739
Click to view 3D structure	CviR transcriptional regulator	D3W065	Chromobacterium violaceum	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 1 E-value 8.01847
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.321 Statistical Significance 0.0176 Supporting Reference Compounds 226 E-value 136.703
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.321 Statistical Significance 0.0176 Supporting Reference Compounds 227 E-value 136.703
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.309 Statistical Significance 0.2524 Supporting Reference Compounds 1498 E-value 1964.99
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.314 Statistical Significance 0.0759 Supporting Reference Compounds 507 E-value 590.953
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.297 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 53 E-value 32.4631
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.297 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 39 E-value 14.6357
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.314 Statistical Significance 0.1087 Supporting Reference Compounds 823 E-value 845.987
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.293 Low confidence Statistical Significance 0.0333 Supporting Reference Compounds 192 E-value 259.549
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.293 Low confidence Statistical Significance 0.0263 Supporting Reference Compounds 127 E-value 204.977