2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol (CED0176445)

Record Information

Version

1.0

Creation Date

2026-08-22 06:55:17 UTC

Update Date

2026-08-22 06:55:17 UTC

SynCED ID

CED0176445

Secondary Accession Numbers

CHEM210899

Identification

Common Name

2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol

Class

Small Molecule

Description

2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C26H38O2 and an average molecular weight of 382.60 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Antennas).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₃₈O₂

Average Molecular Mass

382.600 g/mol

Monoisotopic Mass

382.287 g/mol

CAS Registry Number

4081-14-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C26H38O2/c1-10-11-18(19-12-16(2)14-21(23(19)27)25(4,5)6)20-13-17(3)15-22(24(20)28)26(7,8)9/h12-15,18,27-28H,10-11H2,1-9H3

InChI Key

WYIHUDNDPCJCJL-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
6583.0 Log mg/kg [3700:12000]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	Not Available
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	Not Available
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	Not Available
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000624	Merry Go Rounds?Merry-go-rounds, commonly found in playgrounds and recreational areas, can be a source of synthetic chemical contamination primarily due to the materials used in their construction.	Recreation & sports surfaces	Not Available
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available

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	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.306 Statistical Significance 0.0033 Supporting Reference Compounds 43 E-value 26.0016
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.306 Statistical Significance 0.0166 Supporting Reference Compounds 136 E-value 128.918
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.295 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 78 E-value 72.0105
Click to view 3D structure	Tyrosinase	P14679	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.548 Statistical Significance 0.0038 Supporting Reference Compounds 29 E-value 29.972
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.306 Statistical Significance 0.0617 Supporting Reference Compounds 201 E-value 480.641
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.548 Statistical Significance 0.1557 Supporting Reference Compounds 472 E-value 1212.11
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.324 Statistical Significance 0.1389 Supporting Reference Compounds 128 E-value 1081.33
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.283 Low confidence Statistical Significance 0.2278 Supporting Reference Compounds 266 E-value 1773.79
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.283 Low confidence Statistical Significance 0.391 Supporting Reference Compounds 487 E-value 3043.67
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.271 Low confidence Statistical Significance 0.1238 Supporting Reference Compounds 106 E-value 963.54
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.283 Low confidence Statistical Significance 0.5889 Supporting Reference Compounds 823 E-value 4584.38
Click to view 3D structure	PC4 and SFRS1-interacting protein	O75475	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.215 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 1 E-value 32.8524
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.269 Low confidence Statistical Significance 0.4797 Supporting Reference Compounds 385 E-value 3734.12
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.306 Statistical Significance 0.1781 Supporting Reference Compounds 146 E-value 1386.65
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.283 Low confidence Statistical Significance 0.4064 Supporting Reference Compounds 297 E-value 3163.48
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	P04191	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.324 Statistical Significance 0.0024 Supporting Reference Compounds 15 E-value 18.7617
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.283 Low confidence Statistical Significance 0.7367 Supporting Reference Compounds 686 E-value 5735.54
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.269 Low confidence Statistical Significance 0.5792 Supporting Reference Compounds 373 E-value 4509.18
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.269 Low confidence Statistical Significance 0.5184 Supporting Reference Compounds 310 E-value 4035.86
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.278 Low confidence Statistical Significance 0.7383 Supporting Reference Compounds 953 E-value 5747.45
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX12	P18054	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.268 Low confidence Statistical Significance 0.0435 Supporting Reference Compounds 31 E-value 338.488
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.268 Low confidence Statistical Significance 0.0645 Supporting Reference Compounds 46 E-value 502.205
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.283 Low confidence Statistical Significance 0.5768 Supporting Reference Compounds 337 E-value 4490.58
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.269 Low confidence Statistical Significance 0.934 Supporting Reference Compounds 1498 E-value 7271.35
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.221 Low confidence Statistical Significance 0.4463 Supporting Reference Compounds 343 E-value 3474.18