Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)- (CED0026114)

Record Information

Version

1.0

Creation Date

2026-03-26 20:12:14 UTC

Update Date

2026-08-21 19:05:44 UTC

SynCED ID

CED0026114

Secondary Accession Numbers

CHEM056310

Identification

Common Name

Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-

Class

Small Molecule

Description

Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)- is an organic compound with the formula C21H24O2 and an average molecular weight of 308.42 g/mol. Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)- belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from six recorded sources. These sources include electrical and electronic equipment, specifically antennas, coils, electric switches, selectors, and communication cables or conductors. Additionally, the compound is associated with plastics, where it is unspecified in polycarbonate.

Contaminant Type

Phenolic Antioxidant

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₄O₂

Average Molecular Mass

308.421 g/mol

Monoisotopic Mass

308.178 g/mol

CAS Registry Number

1745-89-7;108728-02-5;130785-52-3;138686-84-7;198228-00-1;72063-12-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(C1=CC(CC=C)=C(O)C=C1)C1=CC=C(O)C(CC=C)=C1

InChI Identifier

InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3

InChI Key

WOCGGVRGNIEDSZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Bisphenols

Alternative Parents

Substituents

Bisphenol
Phenylpropane
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
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
2211.0 Log mg/kg [1200:3900]	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
CEDs000491		Industrial manufacturing & chemical processing	Not Available
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
CEDs000510	Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.	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
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
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
CEDs000532	Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.	Electrical & Electronic Equipment	PubChem
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	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
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
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
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	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.375 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.475 Statistical Significance 0.0046 Supporting Reference Compounds 175 E-value 35.9663
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.475 Statistical Significance 0.0065 Supporting Reference Compounds 182 E-value 50.8355
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.475 Statistical Significance 0.001 Supporting Reference Compounds 50 E-value 8.09632
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.475 Statistical Significance 0.0036 Supporting Reference Compounds 106 E-value 28.3371
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.475 Statistical Significance 0.0156 Supporting Reference Compounds 200 E-value 121.523
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.375 Statistical Significance 0.0032 Supporting Reference Compounds 47 E-value 24.7561
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	P04191	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.375 Statistical Significance 2.00e-04 Supporting Reference Compounds 15 E-value 1.55698
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.306 Statistical Significance 0.0067 Supporting Reference Compounds 46 E-value 52.3147
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.298 Low confidence Statistical Significance 0.1085 Supporting Reference Compounds 258 E-value 844.508
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.298 Low confidence Statistical Significance 0.0724 Supporting Reference Compounds 180 E-value 563.551
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.375 Statistical Significance 0.0688 Supporting Reference Compounds 174 E-value 535.447
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.375 Statistical Significance 0.0472 Supporting Reference Compounds 146 E-value 367.137
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX12	P18054	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.306 Statistical Significance 0.0069 Supporting Reference Compounds 31 E-value 54.0274
Click to view 3D structure	Zinc finger protein mex-5	Q9XUB2	Caenorhabditis elegans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.297 Low confidence Statistical Significance 0.0128 Supporting Reference Compounds 88 E-value 99.5692
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.417 Statistical Significance 0.0257 Supporting Reference Compounds 75 E-value 200.384
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.298 Low confidence Statistical Significance 0.0104 Supporting Reference Compounds 48 E-value 81.3524
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.298 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 16 E-value 18.2167
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.375 Statistical Significance 0.5093 Supporting Reference Compounds 1157 E-value 3964.71
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.375 Statistical Significance 0.4483 Supporting Reference Compounds 906 E-value 3489.67
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.375 Statistical Significance 0.4336 Supporting Reference Compounds 727 E-value 3375.46
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.375 Statistical Significance 0.0488 Supporting Reference Compounds 102 E-value 379.982
Click to view 3D structure	Neuraminidase	B4URF0	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.475 Statistical Significance 0.004 Supporting Reference Compounds 42 E-value 31.1397
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.375 Statistical Significance 0.3104 Supporting Reference Compounds 377 E-value 2416.36
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.375 Statistical Significance 0.4639 Supporting Reference Compounds 742 E-value 3611.35