2,6-Di-tert-butyl-4-mercaptophenol Chemical Properties

storage temp. 

2-8°C, stored under nitrogen

solubility 

Dichloromethane, Diethylether, Ethyl Acetate, Hexanes

form 

solid

Appearance

White to off-white Solid

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

InChIKey

NFVMNXZFSKGLDR-UHFFFAOYSA-N

SMILES

OC(C(C(C)(C)C)=CC(S)=C1)=C1C(C)(C)C

Safety Information

WGK Germany 

WGK 3

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral

2,6-Di-tert-butyl-4-mercaptophenol Usage And Synthesis

Uses

A possible inhibitor of DNA-benzo[a]pyrene adducts formation and benzopyrene activation.

Synthesis

A dry THF (30 mL) solution of 2,6-di-tert-butyl-4-thiocyanatophenol (10.0 g, crude) was slowly added dropwise to a suspension of tetrahydrolithium aluminum (2.0 g, 52.6 mmol) in THF (50 mL) at 0 ??C. The reaction was kept at 0 ??C for 5 h. The reaction was quenched by the slow addition of EtOAc (20 mL), followed by the addition of 3NHCl (50 mL), EtOAc (200 mL), and partitioning of the organic phase. The organic phase was washed with saturated NaHCO3 and brine, respectively, and dried over anhydrous sodium sulfate. The crude product was passed over a chromatographic column (silica gel, EtOAc: PE = 1:10 to 1:5) to give the product 2,6-di-tert-butyl-4-mercaptophenol (5.4 g), a yellow waxy solid.

2,6-Di-tert-butyl-4-mercaptophenol(950-59-4)Related Product Information

• 2-sec-Butylphenol
• Buprofezin
• Butyl acetate
• Diethylene glycol monobutyl ether
• Cyhalofop-butyl
• 2,6-Di-tert-butylphenol
• Di-tert-butyl peroxide
• 2-Butoxyethanol
• 6-HYDROXYWARFARIN
• Warfarin
• (S)-8-Hydroxy Warfarin
• 4,4'-(Disulfanediyl)bis(2,6-di-tert-butylphenol)
• tert-Butanol
• 4-tert-Butylphenol
• 4-Hydroxycoumarin
• (R)-8-HYDROXY WARFARIN
• Butyl acrylate
• (R)-6-Hydroxy Warfarin