Product Name

  • Name

    Benzene,1,1'-thiobis[4-(1,1-dimethylethyl)-3-methyl- (9CI)

  • EINECS
  • CAS No. 63979-95-3
  • Density 1.095g/cm3
  • Solubility
  • Melting Point
  • Formula C22H30 S
  • Boiling Point 488.9°Cat760mmHg
  • Molecular Weight 358.5374
  • Flash Point 237.1°C
  • Transport Information
  • Appearance
  • Safety Mildly toxic by intraperitoneal route. A moderate human skin irritant; a severe experimental skin irritant. See also SULFIDES. When heated to decomposition it emits toxic fumes of SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63979-95-3 (Benzene,1,1'-thiobis[4-(1,1-dimethylethyl)-3-methyl- (9CI))
  • Hazard Symbols
  • Synonyms
  • PSA 65.76000
  • LogP 6.12620

Bis(4-tert-butyl-m-cresyl)sulfide Chemical Properties

IUPAC Name: 2-tert-butyl-5-[(4-tert-butyl-3-hydroxyphenyl)methylsulfanylmethyl]phenol 
Synonyms of Bis(4-tert-butyl-m-cresyl)sulfide (CAS NO.63979-95-3): Di-(4-t-butyl-m-cresol)sulfide ; Sulfide, bis(4-t-butyl-m-cresyl)-
CAS NO: 63979-95-3
Molecular Formula of Bis(4-tert-butyl-m-cresyl)sulfide (CAS NO.63979-95-3): C22H30O2S
Molecular Weight of Bis(4-tert-butyl-m-cresyl)sulfide (CAS NO.63979-95-3): 358.5374 
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 43.76 Å2
Index of Refraction: 1.579
Molar Refractivity: 108.82 cm3
Molar Volume: 327.1 cm3
Surface Tension: 41.9 dyne/cm
Density: 1.095 g/cm3
Flash Point: 237.1 °C
Enthalpy of Vaporization: 78.38 kJ/mol
Boiling Point: 488.9 °C at 760 mmHg
Vapour Pressure: 3.5E-10 mmHg at 25°C
Molecular Structure:

Bis(4-tert-butyl-m-cresyl)sulfide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 5gm/kg (5000mg/kg) GASTROINTESTINAL: PERITONITIS

LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 311, 1952.

Bis(4-tert-butyl-m-cresyl)sulfide Safety Profile

Mildly toxic by intraperitoneal route. A moderate human skin irritant; a severe experimental skin irritant. See also SULFIDES. When heated to decomposition it emits toxic fumes of SOx.

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