ABSTRACT
CH3 CASRN: 110-19-0; DOT: 1213; DOT label: Combustible liquid; molecular formula: C6H12O2; FW: 116.16; RTECS: AI4025000; Merck Index: 12, 5145 Physical state, color, and odor: Colorless liquid with a fruity odor. Experimentally determined detection and recognition odor threshold concentrations were 1.7 mg/m3 (360 ppbv) and 2.4 mg/m3 (510 ppbv), respectively (Hellman and Small, 1974). Melting point (°C): -98.58 (Weast, 1986) Boiling point (°C): 117.2 (Weast, 1986) Density (g/cm3): 0.8715 at 20 °C (Comelli et al., 1998) 0.88702 at 5 °C, 0.87663 at 15 °C, 0.86617 at 25 °C, 0.85562 at 35 °C, 0.84501 at 45 °C (Sakurai
et al., 1996) Diffusivity in water (x 10-5 cm2/sec): 0.75 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 17.9 (NIOSH, 1997) Lower explosive limit (%): 1.3 (NFPA, 1984) Upper explosive limit (%): 10.5 (NFPA, 1984) Henry’s law constant (x 10-4 atm⋅m3/mol): 4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure) Interfacial tension with water (dyn/cm): 13.2 at 25 °C (quoted, Freitas et al., 1997) Ionization potential (eV): 9.97 (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
ow 1.76 using method of Hansch et al. (1968) Solubility in organics: Miscible with most organic solvents (Patnaik, 1992) Solubility in water: 6,300 mg/L at 25 °C (quoted, Verschueren, 1983) 658 mM at 20 °C (shake flask-turbidimetric, Fühner, 1924) In wt % (°C): 1.03 (0), 0.83 (10.0), 0.66 (19.7), 0.61 (29.9), 0.54 (39.7), 0.49 (50.0), 0.57 (60.5),
0.53 (70.1), 0.55 (80.2) (shake flask-GC, Stephenson and Stuart, 1986) Vapor density: 4.75 g/L at 25 °C, 4.01 (air = 1) Vapor pressure (mmHg): 13 at 20 °C (NIOSH, 1997) 10 at 16 °C, 20 at 25 °C (quoted, Verschueren, 1983) Environmental fate: Chemical/Physical. Slowly hydrolyzes in water forming 2-methylpropanol and acetic acid. At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 180 mg/L. The adsorbability of the carbon used was 164 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 150 ppm (700 mg/m3), IDLH 1,300 ppm; OSHA PEL: TWA 150 ppm; ACGIH TLV: TWA 150 ppm (adopted). Symptoms of exposure: Headache, drowsiness, and irritation of upper respiratory tract (Patnaik, 1992). An irritation concentration of 1,350.00 mg/m3 in air was reported by Ruth (1986). Toxicity: Acute oral LD50 for rabbits 4,763 mg/kg, rats 13,400 mg/kg (quoted, RTECS, 1985). Source: A product of whiskey fermentation (quoted, Verschueren, 1983). Isobutyl acetate was identified as a volatile constituent released by fresh coffee beans (Coffea canephora variety Robusta) at different stages of ripeness (Mathieu et al., 1998). Uses: Solvent for nitrocellulose; in thinners, sealers, and topcoat lacquers; flavoring agent; perfumery.
