Alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol) (CED0186244)

Record Information

Version

1.0

Creation Date

2026-04-03 15:31:40 UTC

Update Date

2026-05-20 19:33:36 UTC

SynCED ID

CED0186244

Secondary Accession Numbers

CHEM065512

Identification

Common Name

Alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol)

Class

Small Molecule

Description

Alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol) is an organic compound with the formula C30H46O2S1 and an average molecular weight of 470.76 g/mol. Alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol) belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Tertiary butyl phenols

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₀H₄₆O₂S₁

Average Molecular Mass

470.760 g/mol

Monoisotopic Mass

470.322 g/mol

CAS Registry Number

1620-93-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(C)C1=CC(CSCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

InChI Identifier

InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3

InChI Key

UDFARPRXWMDFQU-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
5360.0 Log mg/kg [3000:9500]	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
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
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
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
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	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
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	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
CEDs000669	PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.	Fire suppression systems & agents	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
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	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

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	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.31 Statistical Significance 0.7001 Supporting Reference Compounds 785 E-value 5450.38
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.267 Low confidence Statistical Significance 0.4599 Supporting Reference Compounds 425 E-value 3580.05
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q93084	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.407 Statistical Significance 5.00e-04 Supporting Reference Compounds 3 E-value 3.89246
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.378 Applicability Domain 0.39 Statistical Significance 8.10e-04 Supporting Reference Compounds 43 E-value 6.30579
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.389 Statistical Significance 0.0019 Supporting Reference Compounds 78 E-value 15.0249
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.374 Applicability Domain 0.39 Statistical Significance 0.0021 Supporting Reference Compounds 136 E-value 16.504
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.39 Statistical Significance 0.0071 Supporting Reference Compounds 201 E-value 55.6622
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.385 Statistical Significance 0.0202 Supporting Reference Compounds 106 E-value 157.567
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.407 Statistical Significance 0.0662 Supporting Reference Compounds 128 E-value 515.05
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.519 Statistical Significance 0.1813 Supporting Reference Compounds 472 E-value 1411.25
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	P04191	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.407 Statistical Significance 5.00e-04 Supporting Reference Compounds 15 E-value 3.89246
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.39 Statistical Significance 0.0396 Supporting Reference Compounds 146 E-value 307.972
Click to view 3D structure	Tyrosinase	P14679	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.519 Statistical Significance 0.007 Supporting Reference Compounds 29 E-value 54.1831
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.298 Low confidence Statistical Significance 0.2337 Supporting Reference Compounds 487 E-value 1819.02
Click to view 3D structure	CDGSH iron-sulfur domain-containing protein 1	Q9NZ45	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.415 Statistical Significance 0.004 Supporting Reference Compounds 22 E-value 30.984
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.298 Low confidence Statistical Significance 0.6548 Supporting Reference Compounds 1301 E-value 5097.26
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.415 Statistical Significance 0.2734 Supporting Reference Compounds 315 E-value 2128.32
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.341 Statistical Significance 0.5508 Supporting Reference Compounds 674 E-value 4288.01
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.267 Low confidence Statistical Significance 0.273 Supporting Reference Compounds 343 E-value 2125.6
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.219 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.4559
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.273 Low confidence Statistical Significance 0.0346 Supporting Reference Compounds 46 E-value 269.436
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.298 Low confidence Statistical Significance 0.6305 Supporting Reference Compounds 823 E-value 4908.78
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.298 Low confidence Statistical Significance 0.6211 Supporting Reference Compounds 686 E-value 4835.45
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.298 Low confidence Statistical Significance 0.3816 Supporting Reference Compounds 386 E-value 2970.65
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.267 Low confidence Statistical Significance 0.4823 Supporting Reference Compounds 406 E-value 3754.51