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:
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. |
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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