ABSTRACT
CASRN: 90-04-0; DOT: 2431; DOT label: Poison; molecular formula: C7H9NO; FW: 123.15; RTECS: BZ5410000; Merck Index: 12, 705 Physical state, color, and odor: Colorless, yellow to reddish liquid with an amine-like odor. Becomes brown on exposure to air. Melting point (°C): 6.2 (Weast, 1986) Boiling point (°C): 224 (Weast, 1986) Density (g/cm3): 1.0923 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.82 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: 4.09 at 25 °C (Dean, 1973) Flash point (°C): 107 (Acros Organics, 2002) 118 (open cup, NFPA, 1984) Henry’s law constant (x 10-6 atm⋅m3/mol): 1.25 at 25 °C (approximate - calculated from water solubility and vapor pressure) Ionization potential (eV): 7.46 (Farrell and Newton, 1966) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for anilines are lacking in the documented literature Octanol/water partition coefficient, log Kow: 1.18 (Camilleri et al., 1988) 1.23 at 25 °C and pH 7.00 (shake flask-HPLC, Unger et al., 1978) Solubility in organics: Miscible with alcohol and ether (Windholz et al., 1983).
