4,4'-Thiobis(6-tert-butyl-m-cresol)

4,4'-Thiobis(6-tert-butyl-m-cresol) Basic information
Product Name:4,4'-Thiobis(6-tert-butyl-m-cresol)
Synonyms:4,4'-Thiobis(6-tert-butyl-3-methylphenol);5-t-Butyl-4-hydroxy-2-methylphenyl sulfide;antagecrystal;antioxidantao;antioxidanttmb6;Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide;bis(4-hydroxy-5-tert-butyl-2-methylphenyl)sulfide;Disperse MB-61
CAS:96-69-5
MF:C22H30O2S
MW:358.54
EINECS:202-525-2
Product Categories:Organics;Industrial/Fine Chemicals;TITANIUM
Mol File:96-69-5.mol
4,4'-Thiobis(6-tert-butyl-m-cresol) Structure
4,4'-Thiobis(6-tert-butyl-m-cresol) Chemical Properties
Melting point 160-165 °C
Boiling point 460.94°C (rough estimate)
density 1.06~1.12g/cm3
vapor pressure 0.001Pa at 20℃
refractive index 1.5200 (estimate)
Fp 215 °C
storage temp. Store below +30°C.
solubility DMSO (Slightly), Methanol (Slightly)
pka10.76±0.36(Predicted)
form Fine white to gray powder.
color White to Off-White
Water Solubility <0.01 g/100 mL at 18 ºC
Stability:Stable under recommended storage conditions., Stable Under Recommended Storage C
InChIKeyHXIQYSLFEXIOAV-UHFFFAOYSA-N
LogP5.24 at 25℃
CAS DataBase Reference96-69-5(CAS DataBase Reference)
NIST Chemistry Reference4,4'-Thiobis(3-methyl-6-t-butylphenol)(96-69-5)
EPA Substance Registry System4,4'-Thiobis(6-tert-butyl-m-cresol) (96-69-5)
Safety Information
Hazard Codes Xi,N
Risk Statements 36/37/38-50/53-43
Safety Statements 37/39-26-61-60-36/37-24/25
WGK Germany WGK 2 water endangering
RTECS GP3150000
Autoignition Temperature402 °C
HS Code 29309070
Hazardous Substances Data96-69-5(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 2345 mg/kg
MSDS Information
4,4'-Thiobis(6-tert-butyl-m-cresol) Usage And Synthesis
Chemical Properties4,40-Thiobis(6-tert-butyl-m-cresol) is a light gray to tan powder. Aromatic odor.
Chemical Propertieswhite to almost white crystals or crystalline
UsesProtection of light-colored rubber from oxidation and of nonstaining neoprene compounds against deterioration.
Uses4,4''-Thiobis(2-tert-butyl-5-methylphenol) is an antioxidant. 4,4''-Thiobis(2-tert-butyl-5-methylphenol) is a radical inhibitor which prevented thermal decomposition of the peracid.
UsesAs an antioxidant in the rubber and plastics industry; as a stabilizer in polyethylene and polyolefin packaging materials for foodstuffs.
General DescriptionWhite or light gray to tan powder.
Air & Water ReactionsSensitive to base hydrolysis and may spontaneously oxidize in solution. . Insoluble in water.
Reactivity Profile4,4'-Thiobis(6-tert-butyl-m-cresol) may be sensitive to light.
HazardToxic by inhalation. Upper respiratory tract irritant. Questionable carcinogen.
Health Hazard4,4'-Thiobis(6-tert-butyl-mcresol) (TBBC) is of low systemic toxicity in animals; allergic contact dermatitis has been reported in humans.
Fire Hazard4,4'-Thiobis(6-tert-butyl-m-cresol) is combustible.
Flammability and ExplosibilityNonflammable
Safety ProfilePoison by intraperitoneal route and probably by ingestion and inhalation. Mutation data reported. See also SULFIDES. When heated to decomposition it emits highly toxic fumes of SOx.
Potential ExposureThis material is used as an antioxidant in the plastics and rubber industries; in Neoprene and other synthetic rubbers; in polyethylene and polypropylene.
CarcinogenicityTBBC was not mutagenic in Salmonella typhimurium strains with or without metabolic activation. In Chinese hamster ovary cells, TBBC induced an increase in sister chromatid exchanges but there were no increases in chromosomal aberrations.
IncompatibilitiesIncompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. May evolve explosive hydrogen sulfide upon contact with moisture or acids.
4,4'-Thiobis(6-tert-butyl-m-cresol) Preparation Products And Raw materials
Raw materialsChlorine-->Sulfur-->Isobutylene-->m-Cresol-->6-tert-Butyl-m-cresol
THIOGLYCOLIC ACID N-BUTYL ESTER 4,4'-Thiobis(6-tert-butyl-m-cresol) 4,4'-thiobis[5-tert-butyl-m-cresol] Methyl Antioxidant 1098 Cyhalofop-butyl 4,4'-THIOBIS(6-TERT-BUTYL-ORTHO-CRESOL) O,O'-Dioctadecylpentaerythritol bis(phosphite) N-(n-Butyl)thiophosphoric triamide Antioxidant 1520 Cresol 2,2'-thiobis(6-tert-butyl-p-cresol) Buprofezin Antioxidant 168 Kresoxim-methyl Antioxidant 1330 Antioxidant 1010 CHLOROPHOSPHONAZO III

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