(1,1,4,4-Tetramethyltetramethylene)bis[tert-pentyl] peroxide (CED0129505)

Record Information

Version

1.0

Creation Date

2026-04-04 20:26:42 UTC

Update Date

2026-08-29 12:44:00 UTC

SynCED ID

CED0129505

Secondary Accession Numbers

CHEM081264

Identification

Common Name

(1,1,4,4-Tetramethyltetramethylene)bis[tert-pentyl] peroxide

Class

Small Molecule

Description

(1,1,4,4-Tetramethyltetramethylene)bis[tert-pentyl] peroxide belongs to the organic peroxides, a subclass of organic oxides within the organic compounds. This organic oxygen compound has the chemical formula C18H38O4 and an average molecular weight of 318.50 g/mol. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically power cables.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₃₈O₄

Average Molecular Mass

318.498 g/mol

Monoisotopic Mass

318.277 g/mol

CAS Registry Number

5168-50-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)CC

InChI Identifier

InChI=1/C18H38O4/c1-11-15(3,4)19-21-17(7,8)13-14-18(9,10)22-20-16(5,6)12-2/h11-14H2,1-10H3

InChI Key

TUAPLLGBMYGPST-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
6719.0 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
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
CEDs000529	Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.	Electrical & Electronic Equipment	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
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

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	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.156 Low confidence Statistical Significance 0.3201 Supporting Reference Compounds 22 E-value 2491.88
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.156 Low confidence Statistical Significance 0.1237 Supporting Reference Compounds 14 E-value 963.151
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.156 Low confidence Statistical Significance 0.195 Supporting Reference Compounds 15 E-value 1518.37
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.143 Low confidence Statistical Significance 0.9964 Supporting Reference Compounds 373 E-value 7756.74
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.143 Low confidence Statistical Significance 0.9504 Supporting Reference Compounds 98 E-value 7399.02
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.0172 Supporting Reference Compounds 1 E-value 133.667
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.161 Low confidence Statistical Significance 0.6333 Supporting Reference Compounds 21 E-value 4930.35
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.0905 Supporting Reference Compounds 2 E-value 704.224
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.161 Low confidence Statistical Significance 0.8752 Supporting Reference Compounds 30 E-value 6813.36
Click to view 3D structure	Pancreatic alpha-amylase	P00689	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.143 Low confidence Statistical Significance 0.3601 Supporting Reference Compounds 2 E-value 2803.43
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.149 Low confidence Statistical Significance 0.9487 Supporting Reference Compounds 41 E-value 7385.48
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.147 Low confidence Statistical Significance 0.5533 Supporting Reference Compounds 20 E-value 4307.16
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.143 Low confidence Statistical Significance 0.7519 Supporting Reference Compounds 18 E-value 5853.79
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 0.125 Applicability Domain 0.133 Low confidence Statistical Significance 0.029 Supporting Reference Compounds 2 E-value 225.996
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.143 Low confidence Statistical Significance 0.0351 Supporting Reference Compounds 2 E-value 273.562
Click to view 3D structure	Ceramide synthase 1	P27545	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Ceramide synthase 4	Q9HA82	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Ceramide synthase 6	Q6ZMG9	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Ceramide synthase 2	Q924Z4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Ceramide synthase 5	Q9D6K9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Ceramide synthase 1	P27544	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 1 E-value 1910.5
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.4974 Supporting Reference Compounds 1 E-value 3871.91
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.163 Low confidence Statistical Significance 0.4352 Supporting Reference Compounds 16 E-value 3387.92
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.143 Low confidence Statistical Significance 0.9987 Supporting Reference Compounds 385 E-value 7774.88
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.143 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 310 E-value 7771.84