Title: p-tert-Butylphenol
CAS Registry Number: 98-54-4
CAS Name: 4-(1,1-Dimethylethyl)phenol
Additional Names: butylphen
Molecular Formula: C10H14O
Molecular Weight: 150.22
Percent Composition: C 79.95%, H 9.39%, O 10.65%
Literature References: Prepd by heating phenol with isobutanol in the presence of zinc chloride: DE 17311; Frdl. 1, 22; also from phenol, tert-butyl chloride and excess alkali in alcohol: Lewis, J. Chem. Soc. 83, 329 (1903). See also Smith, J. Am. Chem. Soc. 55, 3718 (1933); Natelson, ibid. 56, 1583 (1934); Huston, Hsieh, ibid. 58, 439 (1936); US 2039344 (1936 to Dow); Isagulyants, Bagryantseva, C.A. 33, 8183 (1939). Toxicity study: H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969).
Properties: Needles from water, mp 98°. d4114 0.9081. bp 237°. Volatile with steam. Practically insol in cold water. Sol in alcohol, ether. LD50 orally in rats: 3.25 ml/kg (Smyth).
Melting point: mp 98°
Boiling point: bp 237°
Density: d4114 0.9081
Toxicity data: LD50 orally in rats: 3.25 ml/kg (Smyth)
 
Derivative Type: Sodium salt
Molecular Formula: C10H13NaO
Molecular Weight: 172.20
Percent Composition: C 69.75%, H 7.61%, Na 13.35%, O 9.29%
Properties: Deliquescent leaflets. Sol in water.
 
Use: Intermediate in the manuf of varnish and lacquer resins; as a soap antioxidant; ingredient in de-emulsifiers for oil field use; in motor oil additives.