(1-Methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] bismethacrylate (CED0085577)

Record Information

Version

1.0

Creation Date

2026-04-04 23:51:41 UTC

Update Date

2026-08-22 09:09:58 UTC

SynCED ID

CED0085577

Secondary Accession Numbers

CHEM085523

Identification

Common Name

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

Class

Small Molecule

Description

(1-Methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] bismethacrylate belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C29H36O6 and an average molecular weight of 480.60 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₃₆O₆

Average Molecular Mass

480.601 g/mol

Monoisotopic Mass

480.251 g/mol

CAS Registry Number

24447-72-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(COC1=CC=C(C=C1)C(C)(C)C1=CC=C(OCC(C)OC(=O)C(C)=C)C=C1)OC(=O)C(C)=C

InChI Identifier

InChI=1/C29H36O6/c1-19(2)27(30)34-21(5)17-32-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)33-18-22(6)35-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3

InChI Key

PPQQLTZAHODMPQ-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
4344.0 Log mg/kg [2400:7700]	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
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	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

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	Beta-2 adrenergic receptor	P18762	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.309 Statistical Significance 4.10e-04 Supporting Reference Compounds 1 E-value 3.19182
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 2.10e-04 Supporting Reference Compounds 1 E-value 1.63483
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.34 Statistical Significance 0.0019 Supporting Reference Compounds 37 E-value 14.7914
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.34 Statistical Significance 0.0024 Supporting Reference Compounds 48 E-value 18.9952
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.309 Statistical Significance 0.0233 Supporting Reference Compounds 258 E-value 181.077
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.34 Statistical Significance 0.0033 Supporting Reference Compounds 43 E-value 25.4567
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.309 Statistical Significance 0.031 Supporting Reference Compounds 180 E-value 241.722
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.26 Low confidence Statistical Significance 0.0109 Supporting Reference Compounds 1 E-value 84.7778
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.298 Low confidence Statistical Significance 0.1013 Supporting Reference Compounds 315 E-value 788.613
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.309 Statistical Significance 0.1443 Supporting Reference Compounds 541 E-value 1123.6
Click to view 3D structure	Hydrolase, alpha/beta hydrolase fold family	O69638	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.1092
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.298 Low confidence Statistical Significance 0.1986 Supporting Reference Compounds 472 E-value 1546.4
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.298 Low confidence Statistical Significance 0.1667 Supporting Reference Compounds 407 E-value 1297.51
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.273 Low confidence Statistical Significance 0.2363 Supporting Reference Compounds 506 E-value 1839.97
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.273 Low confidence Statistical Significance 0.1041 Supporting Reference Compounds 127 E-value 810.41
Click to view 3D structure	Amine oxidase [copper-containing] 3	Q16853	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.298 Low confidence Statistical Significance 0.005 Supporting Reference Compounds 22 E-value 38.8468
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.266 Low confidence Statistical Significance 0.6185 Supporting Reference Compounds 1245 E-value 4815.36
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.269 Low confidence Statistical Significance 0.6697 Supporting Reference Compounds 1498 E-value 5213.64
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.273 Low confidence Statistical Significance 0.1536 Supporting Reference Compounds 192 E-value 1195.61
Click to view 3D structure	ACCase	H9BT73	Alopecurus japonicus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 0.008 Supporting Reference Compounds 1 E-value 62.1237
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.246 Low confidence Statistical Significance 0.183 Supporting Reference Compounds 269 E-value 1424.8
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P37230	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.273 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 16 E-value 26.2352
Click to view 3D structure	15-cis-phytoene desaturase	P26294	Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2)	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.234 Low confidence Statistical Significance 0.0252 Supporting Reference Compounds 1 E-value 196.569
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.298 Low confidence Statistical Significance 0.2153 Supporting Reference Compounds 372 E-value 1676.41
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.308 Statistical Significance 0.072 Supporting Reference Compounds 146 E-value 560.904