(1-Methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] diacrylate (CED0148424)

Record Information

Version

1.0

Creation Date

2026-04-06 13:42:51 UTC

Update Date

2026-08-22 07:32:51 UTC

SynCED ID

CED0148424

Secondary Accession Numbers

CHEM125847

Identification

Common Name

(1-Methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] diacrylate

Class

Small Molecule

Description

(1-Methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] diacrylate belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C27H32O6 and an average molecular weight of 452.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₆

Average Molecular Mass

452.500 g/mol

Monoisotopic Mass

452.220 g/mol

CAS Registry Number

67952-50-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C27H32O6/c1-7-25(28)32-19(3)17-30-23-13-9-21(10-14-23)27(5,6)22-11-15-24(16-12-22)31-18-20(4)33-26(29)8-2/h7-16,19-20H,1-2,17-18H2,3-6H3

InChI Key

WQMJBYIEWDAFJE-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
6708.0 Log mg/kg [3800:12000]	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
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
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	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.309 Statistical Significance 0.0023 Supporting Reference Compounds 37 E-value 17.8275
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.309 Statistical Significance 0.0028 Supporting Reference Compounds 48 E-value 22.187
Click to view 3D structure	Beta-2 adrenergic receptor	P18762	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 9.50e-04 Supporting Reference Compounds 1 E-value 7.39568
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.304 Statistical Significance 0.0272 Supporting Reference Compounds 258 E-value 211.828
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.309 Statistical Significance 0.0045 Supporting Reference Compounds 43 E-value 34.9543
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.316 Statistical Significance 0.0702 Supporting Reference Compounds 315 E-value 546.735
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.304 Statistical Significance 0.0362 Supporting Reference Compounds 180 E-value 281.658
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.304 Statistical Significance 0.142 Supporting Reference Compounds 541 E-value 1105.85
Click to view 3D structure	Amine oxidase [copper-containing] 3	Q16853	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.316 Statistical Significance 0.0022 Supporting Reference Compounds 22 E-value 17.5161
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.0122 Supporting Reference Compounds 1 E-value 95.2096
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.293 Low confidence Statistical Significance 0.1431 Supporting Reference Compounds 407 E-value 1114.33
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.293 Low confidence Statistical Significance 0.1755 Supporting Reference Compounds 472 E-value 1366.57
Click to view 3D structure	Hydrolase, alpha/beta hydrolase fold family	O69638	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 1 E-value 25.0674
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.268 Low confidence Statistical Significance 0.0962 Supporting Reference Compounds 127 E-value 748.676
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.268 Low confidence Statistical Significance 0.1353 Supporting Reference Compounds 192 E-value 1053.38
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.293 Low confidence Statistical Significance 0.1746 Supporting Reference Compounds 372 E-value 1359.17
Click to view 3D structure	Amine oxidase [copper-containing] 2	O75106	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.316 Statistical Significance 8.60e-04 Supporting Reference Compounds 11 E-value 6.69503
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.293 Low confidence Statistical Significance 0.1635 Supporting Reference Compounds 332 E-value 1273.15
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P37230	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.268 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 16 E-value 22.5763
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 0.0089 Supporting Reference Compounds 1 E-value 69.3637
Click to view 3D structure	Neutral ceramidase	Q9NR71	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 1 E-value 35.1878
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.265 Low confidence Statistical Significance 0.7075 Supporting Reference Compounds 1498 E-value 5507.83
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.262 Low confidence Statistical Significance 0.6758 Supporting Reference Compounds 1245 E-value 5260.82
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.268 Low confidence Statistical Significance 0.3056 Supporting Reference Compounds 506 E-value 2378.92