ABSTRACT
CASRN: 123-86-4; DOT: 1123; DOT label: Flammable liquid; molecular formula: C6H12O2; FW: 116.16; RTECS: AF7350000; Merck Index: 12, 1570 Physical state, color, and odor: Clear, colorless liquid with a strong fruity odor resembling bananas. Sweetish taste as low concentrations (<30 µg/L). Experimentally determined detection and recognition odor threshold concentrations were 30 µg/m3 (6.3 ppbv) and 18 µg/m3 (38 ppbv), respectively (Hellman and Small, 1974). Cometto-Muñiz et al. (2000) reported nasal pungency threshold concentrations ranged from approximately 550 to 3,500 ppm. Melting point (°C): -77.9 (Weast, 1986) Boiling point (°C): 126.11 (Toledo-Marante et al., 2000) Density (g/cm3): 0.88145 at 20 °C (Lee and Tu, 1999) 0.8753 at 25.00 °C, 0.8704 at 30.00 °C (Aminabhavi and Banerjee, 1998b) 0.87633 at 25.00 °C (Chandrasekhar et al., 2000) 0.87120 at 30.00 °C (Visak et al., 2000) 0.89649 at 5 °C, 0.88637 at 15 °C, 0.87614 at 25 °C, 0.86585 at 35 °C, 0.85543 at 45 °C (Sakurai
et al., 1996) Diffusivity in water (x 10-5 cm2/sec): 1.04 at 25 °C, 1.59 at 45 °C (Frey and King, 1982) Flash point (°C): 22.2 (NIOSH, 1997) 36.6 (open cup, Hawley, 1981) Lower explosive limit (%): 1.7 (NIOSH, 1997) Upper explosive limit (%): 7.6 (NIOSH, 1997) Henry’s law constant (x 10-4 atm⋅m3/mol): 2.81 at 25 °C (Kieckbusch and King, 1979) At 25 °C: 24.8, 25.2, 18.3, 8.56, and 2.68 at pH values of 2.93, 5.69, 6.22, 6.58, and 8.80,
respectively (Hakuta et al., 1977) 3.67 at 25 °C (static headspace-GC, Welke et al., 1998) 1.57 at 15 °C, 3.23 at 25 °C, 6.38 at 35 °C, 12.2 at 45 °C (Cottrell and Mazza, 1997) 5.79 at 37 °C (static headspace-GC, van Ruth et al., 2001)
14.5 (Donahue and Bartell, 1952) Ionization potential (eV): 9.56 ± 0.03 (Franklin et al., 1969) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for aliphatic esters are lacking in the documented literature Octanol/water partition coefficient, log Kow: 1.82 at 25 °C (generator column-HPLC, Tewari et al., 1982; generator column-HPLC/GC, Wasik
et al., 1981) 1.70 at 24 °C (shake flask-HPLC, Catz and Friend, 1989) Solubility in organics: Miscible with alcohol and ether (Windholz et al., 1983) Solubility in water: 57.7 mM at 25.0 °C (generator column-HPLC, Tewari et al., 1982; generator column-HPLC/GC,
Wasik et al., 1981) 57.4 mM at 30 °C, 58.5 mM at 40 °C, 61.2 mM at 50 °C, 61.9 mM at 60 °C (Gandhi et al., 1998) 0.84 wt % at 25 °C (shake flask-radiometry, Lo et al., 1986) In wt %: 0.96 at 0 °C, 0.76 at 9.1 °C, 0.64 at 19.7 °C, 0.52 at 30.3 °C, 0.50 at 39.6 °C, 0.50 at 50.0
°C, 0.50 at 60.2 °C, 0.47 at 70.2 °C, 0.48 at 80.1 °C, 0.48 at 90.5 °C (shake flask-GC, Stephenson and Stuart, 1986)
Vapor density: 4.75 g/L at 25 °C, 4.01 (air = 1) Vapor pressure (mmHg): 10 at 20 °C (NIOSH, 1997) 11.0 at 25 °C (Abraham, 1984) Environmental fate: Biological. Heukelekian and Rand (1955) reported a 5-d BOD value of 0.52 g/g which is 23.5% of the ThOD value of 2.21 g/g. Photolytic. Butyl acetate reacts with OH radicals in the atmosphere at a rate constant of 4.15 x 10-12 cm3/molecule⋅sec at 296 K (Wallington et al., 1988b). Chemical/Physical. Hydrolyzes in water forming 1-butanol and acetic acid. Estimated hydrolysis half-lives at 20 °C: 11.4 d at pH 9.0, 114 d at pH 8.0, and 3.1 yr at pH 7.0 (Mabey and Mill, 1978). At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 154 mg/L. The adsorbability of the carbon was 169 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 150 (710 mg/m3), STEL 200 ppm (950 mg/m3), IDLH 1,700 ppm; OSHA PEL: TWA 150 ppm; ACGIH TLV: TWA 150 ppm, STEL 200 ppm (adopted). Symptoms of exposure: Exposure to 200-400 ppm may cause moderate eye and throat irritation
1992). An irritation concentration of 473.33 mg/m3 in air was reported by Ruth (1986). Toxicity: LC50 (96-h static bioassay) for bluegill sunfish 100 ppm, Menidia beryllina 185 ppm (quoted, Verschueren, 1983). LC50 (inhalation) for mice 6 gm/m3/2-h, rats 2,000 ppm/4-h (quoted, RTECS, 1985). Acute oral LD50 for rats 14 mg/kg, mice 7,060 mg/kg, rabbits 7,400 mg/kg (quoted, RTECS, 1985). TLm values for brine shrimp after 24 and 48 h of exposure were 150 and 32 mg/L, respectively (Price et al., 1974). Source: Identified as a volatile constituent released by fresh coffee beans (Coffea canephora variety Robusta) at different stages of ripeness (Mathieu et al., 1998). Also identified among 139 volatile compounds identified in cantaloupe (Cucumis melo var. reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method (Beaulieu and Grimm, 2001). Uses: Manufacture of artificial leathers, plastics, safety glass, photographic films, lacquers; as a solvent in the production of perfumes, natural gums, and synthetic resins; solvent for nitrocellulose lacquers; dehydrating agent.
