2-prop-2-enoxyethyl 2-methylprop-2-enoate (CED0222815)

Record Information

Version

1.0

Creation Date

2026-08-25 12:45:58 UTC

Update Date

2026-08-25 12:45:58 UTC

SynCED ID

CED0222815

Secondary Accession Numbers

CHEM264918

Identification

Common Name

2-prop-2-enoxyethyl 2-methylprop-2-enoate

Class

Small Molecule

Description

2-prop-2-enoxyethyl 2-methylprop-2-enoate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C9H14O3 and an average molecular weight of 170.21 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₄O₃

Average Molecular Mass

170.210 g/mol

Monoisotopic Mass

170.094 g/mol

CAS Registry Number

16839-48-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H14O3/c1-4-5-11-6-7-12-9(10)8(2)3/h4H,1-2,5-7H2,3H3

InChI Key

ZCYIYBNDJKVCBR-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
2770.0 Log mg/kg [1600:4900]	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
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
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
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
CEDs000615	Eye 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 & 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
CEDs000655	Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.	Textiles, leather & furnishings	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
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	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

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	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.278 Low confidence Statistical Significance 0.215 Supporting Reference Compounds 385 E-value 1673.45
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.25 Low confidence Statistical Significance 0.4175 Supporting Reference Compounds 373 E-value 3250.21
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.278 Low confidence Statistical Significance 0.3863 Supporting Reference Compounds 310 E-value 3007.7
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.278 Low confidence Statistical Significance 0.3455 Supporting Reference Compounds 266 E-value 2689.85
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.25 Low confidence Statistical Significance 0.628 Supporting Reference Compounds 297 E-value 4889.16
Click to view 3D structure	Lanosterol synthase	P48449	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.214 Low confidence Statistical Significance 0.0104 Supporting Reference Compounds 10 E-value 81.041
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.195 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 2 E-value 12.4559
Click to view 3D structure	Histamine H3 receptor	Q9JI35	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.2689 Supporting Reference Compounds 56 E-value 2093.05
Click to view 3D structure	Histamine H2 receptor	P47747	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.2 Low confidence Statistical Significance 0.227 Supporting Reference Compounds 45 E-value 1766.94
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.237 Low confidence Statistical Significance 0.4396 Supporting Reference Compounds 98 E-value 3422.64
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.2 Low confidence Statistical Significance 0.5196 Supporting Reference Compounds 80 E-value 4044.97
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.278 Low confidence Statistical Significance 0.7659 Supporting Reference Compounds 128 E-value 5962.32
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.237 Low confidence Statistical Significance 0.6219 Supporting Reference Compounds 109 E-value 4841.83
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.173 Low confidence Statistical Significance 0.017 Supporting Reference Compounds 1 E-value 132.499
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.188 Low confidence Statistical Significance 0.8204 Supporting Reference Compounds 372 E-value 6386.52
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.188 Low confidence Statistical Significance 0.7485 Supporting Reference Compounds 242 E-value 5827.09
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.188 Low confidence Statistical Significance 0.6523 Supporting Reference Compounds 172 E-value 5078.26
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.2 Low confidence Statistical Significance 0.9108 Supporting Reference Compounds 294 E-value 7090.43
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.188 Low confidence Statistical Significance 0.654 Supporting Reference Compounds 151 E-value 5091.42
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.188 Low confidence Statistical Significance 0.6147 Supporting Reference Compounds 157 E-value 4785.08
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.188 Low confidence Statistical Significance 0.6787 Supporting Reference Compounds 165 E-value 5283.63
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.218 Low confidence Statistical Significance 0.9613 Supporting Reference Compounds 562 E-value 7483.41
Click to view 3D structure	Histidine biosynthesis bifunctional protein HisB	P06987	Escherichia coli O26:H11 str. CFSAN001629	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0074 Supporting Reference Compounds 1 E-value 57.5306
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.188 Low confidence Statistical Significance 0.881 Supporting Reference Compounds 407 E-value 6858.67
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.218 Low confidence Statistical Significance 0.7583 Supporting Reference Compounds 207 E-value 5903.46