ABSTRACT
CASRN: 591-78-6; DOT: 1224; molecular formula: C6H12O; FW: 100.16; RTECS: MP1400000; Merck Index: 12, 6112 Physical state, color, and odor: Clear, colorless to pale yellow, flammable liquid with an odor resembling acetone and 2-butanone. Nagata and Takeuchi (1990) reported an odor threshold concentration of 24 ppbv. Amoore and Hautala (1983) reported odor threshold concentrations of 250 µg/L and 76 ppbv in water and air, respectively. Melting point (°C): -56.9 (Dean, 1973) Boiling point (°C): 128 (Weast, 1986) Density (g/cm3): 0.8198 at 10 °C, 0.8025 at 30 °C, 0.7845 at 50 °C (Rintelen et al., 1937) 0.8113 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.78 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: -8.30 (quoted, Riddick et al., 1986) Flash point (°C): -9 (NFPA, 1984) Upper explosive limit (%): 8.0 (NIOSH, 1997) Heat of fusion (kcal/mol): 3.56 (quoted, Riddick et al., 1986) Henry’s law constant (x 10-5 atm⋅m3/mol): 8.10 at 25.00 °C (headspace-GC, Straver and de Loos, 2005) 10.0 at 25 °C (multiple headspace-GC, Brachet and Chaintreau, 2005) 24.4 at 37 °C (static headspace-GC, Bylaite et al., 2004) Interfacial tension with water (dyn/cm at 20 °C): 9.73 (Harkins et al., 1920) Ionization potential (eV): 9.35 (Franklin et al., 1969)
oc 2.13 using method of Kenaga and Goring (1980) Octanol/water partition coefficient, log Kow: 1.19 (shake flask-GLC, Tanii and Hashimoto, 1986) 1.38 (shake flask-UV spectrophotometry, Iwasa et al., 1965) Solubility in organics: Soluble in acetone, ethanol, and ether (Weast, 1986) Solubility in water (wt %): 1.75 at 20 °C, 1.64 at 25 °C, 1.52 at 30 °C (Ginnings et al., 1940) 2.46 at 0 °C, 1.91 at 9.6 °C, 1.51 at 19.8 °C, 1.37 at 29.7 °C, 1.24 at 39.6 °C, 1.16 at 50.0 °C, 1.12
at 60.5 °C, 1.12 at 70.3 °C, 1.15 at 80.7 °C, 1.19 at 91.5 °C (shake flask-GC, Stephenson, 1992) Vapor density: 4.09 g/L at 25 °C, 3.46 (air = 1) Vapor pressure (mmHg): 2 at 20 °C (quoted, Verschueren, 1983) 3.8 at 25 °C (ACGIH, 1986) Exposure limits: NIOSH REL: TWA 1 ppm (4 mg/m3), IDLH 1,600 ppm; OSHA PEL: TWA 100 ppm (410 mg/m3); ACGIH TLV: TWA 5 ppm, STEL 10 ppm (adopted). Symptoms of exposure: Vapor inhalation may cause muscle weakness, weakness in ankles and hand, and difficulty in grasping objects (Patnaik, 1992). Toxicity: Acute oral LD50 for rats 2,590 mg/kg, mice 2,430 mg/kg (quoted, RTECS, 1985). Environmental fate: Biological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM 2-hexanone) and ThOD were 5.22 and 61.4%, respectively (Vaishnav et al., 1987). Photolytic. A second-order photooxidation rate constant of 8.97 x 10-12 cm3/molecule⋅sec for the reaction of 2-hexanone and OH radicals in the atmosphere at 299 K was reported by Atkinson (1985). Chemical/Physical. 2-Hexanone will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1995). Uses: Solvent for paints, varnishes, nitrocellulose lacquers, oils, fats, and waxes; denaturant for ethyl alcohol; in organic synthesis.
