ABSTRACT
CASRN: 628-63-7; DOT: 1104; DOT label: Flammable liquid; molecular formula: C7H14O2; FW: 130.19; RTECS: AJ1925000 Physical state, color, and odor: Colorless liquid with a sweet, banana-like odor. A detection odor threshold concentration of 275 µg/m3 (52 ppbv) was reported by Punter (1983). Cometto-Muñiz and Cain (1991) reported an average nasal pungency threshold concentration of 1,650 ppmv. Melting point (°C): -70.8 (Weast, 1986) Boiling point (°C): 149.25 (Weast, 1986) Density (g/cm3): 0.8756 at 20 °C (Weast, 1986) 0.87073 at 25.00 °C (El-Banna, 1997) Diffusivity in water (x 10-5 cm2/sec): 0.98 at 25 °C, 1.52 at 45 °C (Frey and King, 1982) Flash point (°C): 16-21 (NFPA, 1984) Lower explosive limit (%): 1.1 (NIOSH, 1994) Upper explosive limit (%): 7.5 (NIOSH, 1994) Henry’s law constant (x 10-4 atm⋅m3/mol): 3.57 at 25 °C (Kieckbusch and King, 1979) 0.75 at 30 °C (static headspace-GC, Meynier et al., 2003) 10.73 at 37 °C (static headspace-GC, Bylaite et al., 2004) Interfacial tension with water (dyn/cm): 50 at 20 °C (estimated, CHRIS, 1984) 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 2.23 (Leo et al., 1969) Solubility in organics: Miscible with alcohol and ether (Hawley, 1981) Solubility in water: 1.8 g/L at 20 °C (quoted, Verschueren, 1983) In wt %: 0.29 at 0 °C, 0.22 at 19.7 °C, 0.16 at 30.6 °C, 0.16 at 39.5 °C, 0.10 at 50.0 °C, 0.10 at
60.3 °C, 0.17 at 70.2 °C, 0.17 at 80.1 °C (shake flask-GC, Stephenson and Stuart, 1986) 1,730 mg/L at 25 °C (McBain and Richards, 1946) 3.5 x 10-4 at 95.00 °C (mole fraction, VLLE apparatus-GC, Lee et al., 2002) Vapor density: 5.32 g/L at 25 °C, 4.49 (air = 1) Vapor pressure (mmHg): 4.1 at 25 °C (Abraham, 1984) Environmental fate: Chemical/Physical. Hydrolyzes in water forming acetic acid and 1-pentanol. At an influent concentration of 985 mg/L, treatment with GAC resulted in an effluent concentration of 119 mg/L. The adsorbability of the carbon used was 175 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 100 ppm (525 mg/m3), IDLH 1,000 ppm; OSHA PEL: TWA 100 ppm; ACGIH TLV: TWA 100 ppm with intended TWA and STEL values of 50 and 100 ppm, respectively. Symptoms of exposure: Irritating to eyes and respiratory tract. At concentrations of 1,000 ppm, inhalation may cause headache, somnolence, and narcotic effects (Patnaik, 1992). An irritation concentration of 53.00 mg/m3 in air was reported by Ruth (1986). Toxicity: LC0 (24-h) and LC100 (24-h) for creek chub in Detroit river water were 50 and 120 mg/L, respectively (Gillette et al., 1952). Acute oral LD50 for rats 6,500 mg/kg (quoted, RTECS, 1985). Source: 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: Solvent for lacquers and paints; leather polishes; flavoring agent; photographic film; extraction of penicillin; nail polish; printing and finishing fabrics; odorant.
