4,4'-Thiobis(6-tert-butyl-m-cresol) - ≥98% , CAS No.96-69-5

CAS: 96-69-5 Cat. No.: T162247 Peso molecular: 358.54 Número EC: 202-525-2 PubChem CID: 7308

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4,4'-Thiobis(6-tert-butyl-m-cresol) - ≥98% CAS No(96-69-5) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

4,4'-Thiobis(6-tert-butyl-3-cresol) | DTXCID301341 | 4, {4'-Thiobis[6-tert-butyl-m-cresol]} | 4,4'-Thiobis(3-methyl-6-t-butylphenol) | 6,6'-Di-tert-butyl-4,4'-thiodi-m-cresol | CAS-96-69-5 | Oprea1_700795 | 4, 4'-Thiobis(3-methyl-6-tert-butylphenol) | Bis

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Citations of This Product Referencias Calculadoras de soluciones Reseñas

🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

4, 4'-Thiobis(6-tert-butyl-3-cresol) | DTXCID301341 | 4, {4'-Thiobis[6-tert-butyl-m-cresol]} | 4, 4'-Thiobis(3-methyl-6-t-butylphenol) | 6, 6'-Di-tert-butyl-4, 4'-thiodi-m-cresol | CAS-96-69-5 | Oprea1_700795 | 4, 4'-Thiobis(3-methyl-6-tert-butylphenol) | Bis

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	504751298
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751298
Sonrisas canónicas	CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
IUPAC Name	2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
InChIKey	HXIQYSLFEXIOAV-UHFFFAOYSA-N
INCHI	1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
Isómeros SMILES	CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
RTECS	GP3150000
PubChem CID	7308
Peso molecular	358.54
Reaxy-Rn	1147776

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Clase Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Clase	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylthioethers
Alternative Parents	Phenylpropanes Thiophenol ethers Meta cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diarylthioether - Phenylpropane - Thiophenol ether - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Lymphoblastoid cell (5959 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Fecha	Articulo
I1817145	Certificate of Analysis	Apr 13, 2026	T162247
K2126315	Certificate of Analysis	Sep 08, 2025	T162247
B2520040	Certificate of Analysis	Feb 21, 2025	T162247
K2317107	Certificate of Analysis	Jul 20, 2022	T162247

Propiedades químicas y físicas

Solubilidad	Insoluble in water; Very soluble in Methanol; Soluble in Acetone,Chloroform,Benzene,Toluene
Punto de fusión (°C)	162 °C
Peso molecular	358.500 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	358.197 Da
Monoisotopic Mass	358.197 Da
Topological Polar Surface Area	65.800 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	396.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Preguntas frecuentes y artículos

Rubber Aging Pathways and Antidegradant Selection: From Thermo-Oxidative Aging and Ozone Cracking to Migration and Extraction Control

Categories: Technical articles

Tags:

Materials Science Rubber antidegradants Rubber Thermo-Oxidative Aging

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

Referencias

1. Lijing Lu, Chang Cheng, Li Xu, Liao Pan, Hai Feng Xia, Lixin Lu. (2021) Migration of antioxidants from food-contact rubber materials to food simulants. JOURNAL OF FOOD ENGINEERING, [PMID:] [10.1016/j.jfoodeng.2021.110904]
2. Yifan Wu, Shihang Wang, Bingrong Huang, Xinru Yang, Shengtao Li. (2024) Excellent DC Electrical Performance of a Byproduct-free Crosslinked Polyethylene Copolymer Blend for High-Voltage Cables. IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION, [PMID:] [10.1109/TDEI.2024.3521874]
3. Qu Jinfei, Wang Shihang, Li Shengtao. (2024) The XLPO cable insulation with synchronous-enhanced DC electrical and high-temperature mechanical properties. APL Materials, 12 (10): [PMID:] [10.1063/5.0238546]

Calculadoras de soluciones

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Reseñas

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