ABSTRACT
Note: Inhibited with 15 ppm tert-butylcatechol to prevent polymerization (Acros Organics, 2002). CASRN: 98-83-9; DOT: 2303; molecular formula: C9H10; FW: 118.18; RTECS: WL5250000 Physical state, color, and odor: Colorless liquid with a sharp aromatic odor. Odor threshold concentration is 290 ppb (quoted, Amoore and Hautala, 1983). Melting point (°C): -23.21 (Hawley, 1981) Boiling point (°C): 165.38 °C (Hawley, 1981) Density (g/cm3 at 20 °C): 0.9082 (Weast, 1986) 0.862 (Sax and Lewis, 1987) Diffusivity in water (x 10-5 cm2/sec): 0.76 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): 54.3 (NIOSH, 1997) Lower explosive limit (%): 1.9 (NIOSH, 1997) Upper explosive limit (%): 6.1 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 11.36 (Lebedev and Rabinovich, 1971a) Heat of fusion (kcal/mol): 2.8499 (Lebedev and Rabinovich, 1971) Ionization potential (eV): 8.35 ± 0.01 (Franklin et al., 1969)
Soluble in benzene and chloroform (Weast, 1986). Miscible with alcohol and ether (Sax and Lewis, 1987). Solubility in water: 115.5 mg/L at 25 °C (Deno and Berkheimer, 1960) Vapor density: 4.83 g/L at 25 °C, 4.08 (air = 1) Vapor pressure (mmHg): 2 at 20 °C (NIOSH, 1997) Environmental fate: Chemical/Physical. Polymerizes in the presence of heat or catalysts (Hawley, 1981). Exposure limits: NIOSH REL: TWA 50 ppm (240 mg/m3), STEL 100 ppm (485 mg/m3), IDLH 700 ppm; OSHA PEL: ceiling 100 ppm; ACGIH TLV: TWA 50 ppm, STEL 100 ppm (adopted). Symptoms of exposure: An irritation concentration of 960.00 mg/m3 in air was reported by Ruth (1986). Toxicity: LC50 (inhalation) for mice 3,020 mg/m3 (quoted, RTECS, 1985). Acute oral LD50 for mice 3,160 mg/kg, rats 4 g/kg (RTECS, 1985). Uses: Manufacture of polyesters.
