Description

2,6-Di-tert-butyl-4-mercaptophenol (CAS No. 950-59-4) is a high-purity phenolic compound with the molecular formula C₁₄H₂₂OS. This sterically hindered phenol features a thiol (-SH) functional group at the 4-position, making it a versatile intermediate for organic synthesis and stabilization applications. Its robust tert-butyl substituents enhance oxidative stability, ideal for use in polymer antioxidants, lubricant additives, and specialty chemical formulations. Suitable for research and industrial use, this compound is supplied with comprehensive analytical documentation including ¹H NMR, HPLC, and GC-MS purity data. Store under inert conditions to preserve reactivity.

Properties

• CAS Number: 950-59-4
• Complexity: 212
• IUPAC Name: 2,6-ditert-butyl-4-sulfanyl-phenol
• InChI: InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
• InChI Key: NFVMNXZFSKGLDR-UHFFFAOYSA-N
• Exact Mass: 238.13913649
• Molecular Formula: C14H22OS
• Molecular Weight: 238.39
• SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S
• Topological: 21.2
• Monoisotopic Mass: 238.13913649
• Synonyms: 2,6-Di-tert-butyl-4-mercaptophenol, 950-59-4, 2,6-Di-tert-butyl-4-thiophenol, EINECS 213-451-5, 2,6-bis(1,1-dimethylethyl)-4-mercaptophenol, DTXSID00241719, DTXCID80164210, 213-451-5, 2,6-di-tert-butyl-4-sulfanylphenol, 2,6-ditert-butyl-4-sulfanylphenol, 4-mercapto-2,6-di-tert-butylphenol, 2,6-bis(tert-butyl)-4-sulfanylphenol, 2,6-Di-tert-butyl-4-mercapto-phenol, 2,6-Di-tert-butyl-4-thiophenol; 3,5-Di-tert-butyl-4-hydroxybenzenethiol; 3,5-Di-tert-butyl-4-hydroxythiophenol; H 327/74, ZT9Q8D3AMB, SCHEMBL224048, SCHEMBL5610588, 2,6-di-t-butyl-4-mercaptophenol, 2,6 di-tert-butyl-4-mercaptophenol, 2,6-Ditert-butyl-4-mercapto phenol, 2.6-di-tert-butyl-4-mercaptophenol, 3,5-di-t-butyl-4-hydroxythiophenol, MFCD00551041, SBB001650, SC5127, STK246876, 3,5-di-tert-butyl-4hydroxythiophenol, 2, 6-di-tert-butyl-4-mercaptophenol, 2,6-di-tert- butyl-4-mercaptophenol, 2,6-ditertiary butyl-4-mercaptophenol, 3,5-di-t-butyl-4-hydroxybenzenethiol, AKOS004906687, 3,5-di-t-butyl-4-hydroxyphenylmercaptan, 3,5-di-tert.butyl-4-hydroxy-thiophenol, 4-hydroxy-3,5-di-tert. butyl-thiophenol, ST057196, 3,5-Di-(tert-butyl)-4-hydroxythiophenol, 3,5-di-tert-butyl-4-hydroxybenzene thiol, 2,6-bis(1,1-dimethylethyl)4-mercaptophenol, CS-0272557, NS00040436, 2,6-bis-(1,1-dimethylethyl)4-mercaptophenol, 2,6-DI(TERT-BUTYL)-4-SULFANYLPHENOL, EN300-18638, 2,6-bis (1,1-dimethylethyl)-4-mercaptophenol, 2,6-bis(1,1-dimethyl-ethyl)-4-mercaptophenol, 2,6-bis-(1,1-Dimethylethyl)-4-mercaptophenol, 2.6-bis(1,1-Dimethylethyl)-4-mercaptophenol, 2.6-bis(1.1-Dimethylethyl)-4-mercaptophenol, 2.6-bis-(1,1-Dimethylethyl)-4-mercaptophenol, Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto-, Q65654012

Application

2,6-Di-tert-butyl-4-mercaptophenol serves as a key antioxidant in polymer stabilization, scavenging free radicals to prevent degradation. It is utilized in lubricant formulations to enhance thermal and oxidative resistance. The thiol group enables functionalization in pharmaceutical and agrochemical synthesis. Researchers employ it as a model compound for studying steric effects in phenolic antioxidants.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2 (33.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.