ABSTRACT
CASRN: 78-93-3; DOT: 1193, 1232; DOT label: Flammable liquid; molecular formula: C4H8O; FW: 72.11; RTECS: EL6475000; Merck Index: 12, 6149 Physical state, color, and odor: Clear, colorless, volatile, very flammable liquid with a sweet, mint or acetone-like odor. Odor threshold concentration is 10.0 ppmv (Leonardos et al., 1969). Experimentally determined detection and recognition odor threshold concentrations were 5.8 mg/m3 (2.0 ppmv) and 16 mg/m3 (5.4 ppmv), respectively (Hellman and Small, 1974). Melting point (°C): -86.9 (Dean, 1973) Boiling point (°C): 79.50 (Dreisbach and Shrader, 1949) Density (g/cm3): 0.8054 at 20 °C (Yan et al., 2001) 0.79992 at 25.00 °C, 0.79464 at 30.00 °C (Lee and Chuang, 1997) 0.79457 at 30.00 °C (Sekar and Naidu, 1996) Diffusivity in water (x 10-5 cm2/sec): 0.94 at 20 °C using method of Hayduk and Laudie (1974) 1.32 at 32 °C (Rah et al., 2002) Dissociation constant, pKa: 14.7 (quoted, Riddick et al., 1986) Flash point (°C): -8.9 (closed cup), -3.3 (open cup) (Eastman, 1995) Lower explosive limit (%): 1.4 at 93 °C (NIOSH, 1997) Upper explosive limit (%): 11.4 at 93 °C (NIOSH, 1997) Heat of fusion (kcal/mol): 2.017 (quoted, Riddick et al., 1986) Henry’s law constant (x 10-5 atm⋅m3/mol): 8.93 at 25 °C (dynamic stripping cell-MS, Karl et al., 2003) 4.65 at 25 °C (Buttery et al., 1969) 5.56 at 25 °C (Vitenberg et al., 1975)
9.70 at pH 7.1 and 30 °C (headspace-GC, Friant and Suffet, 1979) 5.82 at 25.0 °C (headspace-GC, Straver and de Loos, 2005) 6.22 at 25 °C (batch stripping method-GC, Kim et al., 2000) 5.26 at 25 °C (Rohrschneider, 1973) 7.0 at 25 °C (Hawthorne et al., 1985) 2.04 at 10 °C, 5.05 at 25 °C, 7.09 at 30 °C, 9.17 at 35 °C, 14.1 at 45 °C (bubble column-HPLC,
Zhou and Mopper, 1990) 1.32 at 5 °C, 1.82 at 10 °C, 2.42 at 15 °C, 3.24 at 20 °C, 4.36 at 25 °C (headspace-GC, Ji and
Evans, 2007) 10.9 at 37 °C (static headspace-GC, van Ruth et al., 2001) 6.36 at 25 °C (static headspace-GC, Welke et al., 1998) 6.11 at 25 °C (multiple headspace-GC, Brachet and Chaintreau, 2005) 5.22 at 30 °C (headspace-GC, Chaintreau et al., 1995) 1.23 at 2 °C, 1.37 at 5 °C, 2.13 at 8 °C, 4.26 at 10 °C, 5.88 at 15 °C, 13.9 at 20 °C, 38.5 at 25 °C
(horizontal flow reactor-MS, Strekowski and George, 2005) 12.2 at 37 °C (static headspace-GC, Bylaite et al., 2004) 23.0 at 50.00 °C, 34.1 at 60.00 °C, 50.6 at 70.00 °C, 70.4 at 80.00 °C (headspace-GC, Hovorka et
al., 2002) Interfacial tension with water (dyn/cm at 25 °C): 1.0 (Murphy et al., 1957; Demond and Lindner, 1993) 3.0 (Lyman et al., 1982) Ionization potential (eV): 9.54 (NIOSH, 1997) 9.53 (Gibson, 1977) Soil organic carbon/water partition coefficient, log Koc: 1.47 (Captina silt loam), 1.53 (McLaurin sandy loam) (Walton et al., 1992) Octanol/water partition coefficient, log Kow: 0.25 at 20.0 °C (shake flask-chemical reaction, Collander, 1951) 0.29 (shake flask-GLC, Hansch and Anderson, 1967) 0.69 (generator column-HPLC/GC, Wasik et al., 1981) Solubility in organics: Miscible with acetone, ethanol, benzene, ether (U.S. EPA, 1985), and many other solvents, particularly ketones and aldehydes Solubility in water: 353 g/L at 10 °C, 190 g/L at 90 °C (quoted, Verschueren, 1983) In g/kg: 27.5 at 10 °C, 32.6 at 20 °C, 34.5 at 30 °C (shake flask-GC, Howe et al., 1987) 24.00 wt % at 20 °C (Palit, 1947; Riddick et al., 1986) In wt %: 27.33 at 20 °C, 25.57 at 25 °C, 24.07 at 30 °C (Ginnings et al., 1940) In wt %: 35.7 at 0 °C, 31.0 at 9.6 °C, 27.6 at 19.3 °C, 24.5 at 29.7 °C, 22.0 at 39.6 °C, 20.6 at 49.7
°C, 18.0 at 60.6 °C, 18.2 at 70.2 °C (shake flask-GC, Stephenson, 1992) 1.89 mol/L at 25.0 °C (generator column-HPLC/GC, Wasik et al., 1981) Vapor density: 2.94 g/L at 25 °C, 2.49 (air = 1)
32.1 at 5.00 °C, 42.3 at 10.00 °C, 55.0 at 15.00 °C, 70.8 at 20.00 °C, 90.5 at 25.00 °C, 114.6 at
30.00 °C, 143.3 at 35.00 °C, 177.6 at 40.00 °C, 218.5 at 45.00 °C, 266.6 at 50.00 °C (Garriga et al., 1996, 1999)
90.6 at 25 °C (Ambrose et al., 1975) 92.64 at 25.00 °C (GC, Hussam and Carr, 1985) Environmental fate: Biological. Following a lag time of approximately 5 h, 2-butanone degraded in activated sludge (30 mg/L) at a rate constant ranging from 0.021 to 0.025/h (Urano and Kato, 1986). Bridié et al. (1979) reported BOD and COD values of 2.03 and 2.31 g/g using filtered effluent from a biological sanitary waste treatment plant. These values were determined using a standard dilution method at 20 °C for a period of 5 d. The ThOD for 2-butanone is 2.44 g/g. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM 2-butanone) and ThOD were 3.23 and 58.7%, respectively (Vaishnav et al., 1987). Photolytic. Synthetic air containing gaseous nitrous acid and exposed to artificial sunlight (λ = 300-450 nm) photooxidized 2-butanone into peroxyacetyl nitrate and methyl nitrate (Cox et al., 1980). They reported a rate constant of 2.6 x 10-12 cm3/molecule⋅sec for the reaction of gaseous 2butane with OH radicals based on a value of 8 x 10-12 cm3/molecule⋅sec for the reaction of ethylene with OH radicals. The OH radical-initiated photooxidation of 2-butanone in a smog chamber produced peroxyacetyl nitrate and acetaldehyde (Cox et al., 1981). Reported rate constants for the reaction of 2-butanone with OH radicals in the atmosphere and in water are 1.15 x 10-13 and 1.50 x 10-13 cm3/molecule⋅sec, respectively (Wallington and Kurylo, 1987; Wallington et al., 1988a). The rate constant for the reaction of 2-butanone and OH radicals in the atmosphere at 300 K is 2.0 x 10-12 cm3/molecule⋅sec (Hendry and Kenley, 1979). Cox et al. (1981) reported a photooxidation half-life of 2.3 d for the reaction of 2-butanone and OH radicals in the atmosphere. Chemical/Physical. 2-Butanone will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1993). Combustion in air will produce carbon monoxide (incomplete combustion), carbon dioxide, and water vapor. At an influent concentration of 1.0 g/L, treatment with GAC resulted in an effluent concentration of 532 mg/L. The adsorbability of the carbon used was 94 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 200 ppm (590 mg/m3), STEL 300 ppm (885 mg/m3), IDLH 3,000 ppm; OSHA PEL: TWA 200 ppm; ACGIH TLV: TWA 200 ppm, STEL 300 ppm (adopted). Symptoms of exposure: Inhalation may cause irritation of eyes and nose and headache. Narcotic at high concentrations (Patnaik, 1992). An irritation concentration of 590.00 mg/m3 in air was reported by Ruth (1986). Toxicity: LC50 (96-h) for fathead minnows 3,200 mg/L (Veith et al., 1983), Cyprinodon variegatus >400 ppm using natural seawater (Heitmuller et al., 1981). LC50 (72-h) for Cyprinodon variegatus >400 ppm (Heitmuller et al., 1981). LC50 (48 and 24-h) for Daphnia magna >520 mg/L (LeBlanc, 1980), Cyprinodon variegatus >400 ppm (Heitmuller et al., 1981). Acute oral LD50 for rats 2,737 mg/kg, mouse 4,050 mg/kg; LD50 (skin) for rabbit 13 gm/kg (quoted, RTECS, 1985).
