ABSTRACT
CASRN: 107-87-9; DOT: 1249; DOT label: Flammable liquid; molecular formula: C5H10O; FW: 86.13; RTECS: SA7875000; Merck Index: 12, 6193 Physical state, color, and odor: Clear, colorless, very flammable liquid with a characteristic, pungent odor. An odor threshold concentration of 20 ppbv was determined by a triangular odor bag method (Nagata and Takeuchi, 1990). Cometto-Muñiz et al. (2000) reported nasal pungency threshold concentration ranging from approximately 500 to 3,200 ppm. Melting point (°C): -77.8 (Weast, 1986) Boiling point (°C): 102 (Weast, 1986) 103.3 (Stull, 1947) Density (g/cm3): 0.8089 at 20 °C (Weast, 1986) 0.8018 at 25 °C (Ginnings et al., 1940) 0.79653 at 30.00 °C (Venkatesu and Rao, 1996) Diffusivity in water (x 10-5 cm2/sec): 0.85 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 7.3 (NIOSH, 1997) Lower explosive limit (%): 1.5 (NIOSH, 1997) Upper explosive limit (%): 8.2 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 12.93 (Oetting, 1965) Heat of fusion (kcal/mol): 2.54 (Oetting, 1965) Henry’s law constant (x 10-5 atm⋅m3/mol): 6.36 at 25 °C (Buttery et al., 1969) 11 at 25 °C (Hawthorne et al., 1985) 8.07 at 25 °C (multiple headspace-GC, Brachet and Chaintreau, 2005) 8.36 at 25 °C (gas stripping-GC, Shiu and Mackay, 1997)
10.8 at 28 °C (Nelson and Hoff, 1968) 17.6 at 37 °C (static headspace-GC, Bylaite et al., 2004) 12.30 at 25.00 °C (headspace-GC, Straver and de Loos, 2005) Ionization potential (eV): 9.37 ± 0.02 (Franklin et al., 1969) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for ketones are lacking in the documented literature. Given that the low molecular weight ketones are very soluble in water, it is likely that adsorption onto soil will not be significant. Octanol/water partition coefficient, log Kow: 0.78 (quoted, Sangster, 1989) 0.91 at 25 °C (HPLC, Unger et al., 1978) Solubility in organics: Miscible with alcohol, ether (Windholz et al., 1983) cyclohexanone, and cyclohexane. Solubility in water: 43,065 mg/L at 20 °C (Mackay and Yeun, 1983) 5.95, 5.51, and 5.18 wt % at 20, 25 °C, and 30 °C, respectively (Ginnings et al., 1940) 0.630 and 0.515 mol % at 30 and 50 °C, respectively (Palit, 1947) 48.1 g/L at 37 °C (static headspace-GC, Philippe et al., 2003) In wt %: 8.7 at 0 °C, 6.9 at 9.7 °C, 5.9 at 19.7 °C, 5.0 at 31.0 °C, 4.6 at 39.6 °C, 4.2 at 49.8 °C, 4.0
at 60.1 °C, 3.8 at 80.0 °C, 3.4 at 90.5 °C (shake flask-GC, Stephenson, 1992) Vapor density: 3.52 g/L at 25 °C, 2.97 (air = 1) Vapor pressure (mmHg): 12 at 20 °C, 16 at 25 °C, 21 at 30 °C (quoted, Verschueren, 1983) Environmental fate: Chemical/Physical. Atkinson et al. (2000) studied the gas-phase reaction of 2-pentanone with OH radicals in purified air at 25 °C and 740 mmHg. A relative rate constant of 4.56 x 10-12 cm3/molecule·sec was calculated for this reaction. Reaction products identified by GC, FTIR, and atmospheric pressure ionization tandem mass spectroscopy were (with respective molar yields) were: formaldehyde, 1.03; acetaldehyde, 0.51; propanal, 0.19; 2,4-pentanedione, 0.12; and molecular weight 147 organic nitrates. At an influent concentration of 1.0 g/L, treatment with GAC resulted in an effluent concentration of 305 mg/L. The adsorbability of the GAC was 139 mg/g carbon (Guisti et al., 1974). Will not hydrolyze in water because 3-pentanone does not contain a hydrolyzable group. Exposure limits: NIOSH REL: TWA 150 ppm (530 mg/m3), IDLH 1,500 ppm; OSHA PEL: TWA 200 (700 mg/m3); ACGIH TLV: TWA 200 ppm, STEL 250 ppm (adopted). Symptoms of exposure: Inhalation of vapors may cause narcosis and irritation of eyes and respiratory tract (Patnaik, 1992).
