ABSTRACT
CASRN: 108-03-2; DOT: 2608; DOT label: Combustible liquid; molecular formula: C3H7NO2; FW: 89.09; RTECS: TZ5075000; Merck Index: 12, 6724 Physical state, color, and odor: Colorless, oily liquid with a mild, fruity odor. A detection odor threshold concentration of 510 mg/m3 (140 ppmv) was experimentally determined by Dravnieks (1974). Melting point (°C): -108 (Weast, 1986) Boiling point (°C): 131.38 (Dreisbach and Shrader, 1949) Density (g/cm3): 1.0081 at 24 °C (Weast, 1986) 0.99595 at 25.00 °C (Tanaka and Toyama, 1996) Diffusivity in water (x 10-5 cm2/sec): 1.08 at 25 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: 8.98 at 25 °C (Dean, 1987) Flash point (°C): 35.8 (NIOSH, 1997) 34 (Windholz et al., 1983) Lower explosive limit (%): 2.2 (NIOSH, 1997) Henry’s law constant (x 10-5 atm⋅m3/mol): 5.65 at 20.00 °C, 9.97 at 30.00 °C, 16.2 at 40.00 °C, 24.9 at 50.00 °C (inert gas stripping, Beneš
and Dohnal, 1999) 6.11 at 25 °C (static headspace-GC, Welke et al., 1998) Ionization potential (eV): 10.78 (Lias, 1998) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for nitroaliphatics are lacking in the documented literature. However, its moderate solubility in water suggests its adsorption to soil will be low (Lyman et al., 1982). Octanol/water partition coefficient, log Kow: 0.65 (shake flask-GLC, Hansch and Anderson, 1967) 0.87 (Hansch and Leo, 1979)
Soluble in alcohol, chloroform, and ether (Weast, 1986). Miscible with many organic solvents (Windholz et al., 1983). Solubility in water (wt %): 1.78 at 0 °C, 1.65 at 9.5 °C, 1.58 at 20.0 °C, 1.70 at 31.0 °C, 1.73 at 41.0 °C, 1.78 at 50.2 °C, 1.91 at 60.2 °C, 2.05 at 70.1 °C, 2.17 at 81.2 °C, 2.29 at 90.5 °C (shake flask-GC, Stephenson, 1992) Vapor density: 3.64 g/L at 25 °C, 3.08 (air = 1) Vapor pressure (mmHg): 8 at 20 °C (NIOSH, 1997) Exposure limits: NIOSH REL: TWA 25 ppm (90 mg/m3), IDLH 1,000 ppm; OSHA PEL: TWA 25 ppm; ACGIH TLV: TWA 25 ppm (adopted). Symptoms of exposure: An irritation concentration of 360.00 mg/m3 in air was reported by Ruth (1986). Toxicity: Acute oral LD50 for mice 800 mg/kg, rats 455 mg/kg (quoted, RTECS, 1985). Uses: Solvent for cellulose acetate, lacquers, vinyl resins, fats, oils, dyes, synthetic rubbers; chemical intermediate; propellant; gasoline additive.
