ABSTRACT
CASRN: 101-84-8; molecular formula: C12H10O; FW: 170.21; RTECS: KN8970000; Merck Index: 12, 7442 Physical state, color, and odor: Colorless solid or liquid with a geranium-like odor. An experimentally determined odor threshold concentration of 100 ppbv was reported by Leonardos et al. (1969). Melting point (°C): 26-30 (Acros Organics, 2002) 26-27 (Ohki and Kowalczyk, 1969) Boiling point (°C): 257.9 (Weast, 1986) Density (g/cm3): 1.0748 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.67 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 116 (NIOSH, 1997) Lower explosive limit (%): 0.7 (NIOSH, 1997) Upper explosive limit (%): 6.0 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 13.71 (Ginnings and Furukawa, 1953) Heat of fusion (kcal/mol): 4.115 (quoted, Riddick et al., 1986) Henry’s law constant (x 10-4 atm⋅m3/mol): 2.13 at 20 °C (approximate - calculated from water solubility and vapor pressure) Ionization potential (eV): 8.82 ± 0.05 (Franklin et al., 1969) 8.09 (Lias, 1998) Bioconcentration factor, log BCF: 2.29 (fish, Mackay, 1982)
oc Unavailable because experimental methods for estimation of this parameter for aromatic ethers are lacking in the documented literature Octanol/water partition coefficient, log Kow: 4.21 (shake flask, Briggs, 1981) 3.79 (estimated using HPLC-MS, Burkhard et al., 1985a) 4.08 at 23 °C (shake flask-HPLC, Banerjee et al., 1980) 4.20 (Chiou et al., 1977) Solubility in organics: Soluble in acetic acid, alcohol, benzene, and ether (Weast, 1986) Solubility in water (mg/L at 25 °C): 18.04 (shake flask-LSC, Banerjee et al., 1980) 21 (Chiou et al., 1977) Vapor pressure (mmHg): 0.02 at 20 °C, 0.12 at 30 °C (quoted, Verschueren, 1983) Exposure limits: NIOSH REL: TWA 1 ppm (7 mg/m3), IDLH 100 ppm; OSHA PEL: TWA 1 ppm; ACGIH TLV: TWA 0.1, STEL 2 ppm (adopted). Symptoms of exposure: Mild skin irritant. Ingestion may cause liver and kidney damage (Patnaik, 1992). Toxicity: LC50 (96-h) for fathead minnows 4.0 mg/L (Veith et al., 1983). LC50 (48-h) for Daphnia magna 670 µg/L (LeBlanc, 1980). LC50 (24-h) for Daphnia magna 1.4 mg/L (LeBlanc, 1980). Acute oral LD50 for rats 3,370 mg/kg (quoted, RTECS, 1985). Uses: Heat transfer liquid; perfuming soaps; resins for laminated electrical insulation; organic synthesis.
