ABSTRACT
CASRN: 109-60-4; DOT: 1276; DOT label: Flammable liquid; molecular formula: C5H10O2; FW: 102.12; RTECS: AJ3675000; Merck Index: 12, 8026 Physical state, color, and odor: Clear, colorless, flammable liquid with a pleasant, pear-like odor. Experimentally determined detection and recognition odor threshold concentrations were 200 µg/m3 (48 ppbv) and 600 µg/m3 (140 ppbv), respectively (Hellman and Small, 1974). An odor threshold concentration of 240 ppbv was determined by a triangular odor bag method (Nagata and Takeuchi, 1990). Cometto-Muñiz and Cain (1991) reported an average nasal pungency threshold concentration of 17,575 ppmv. Melting point (°C): -95 (Weast, 1986) Boiling point (°C): 101.2 (Resa et al., 2001) Density (g/cm3): 0.89361 at 15 °C, 0.88250 at 25 °C, 0.87128 at 35 °C, 0.85993 at 45 °C (Sakurai et al., 1996) 0.88770 at 20.00 °C (Lee and Tu, 1999) 0.8824 at 25.00 °C, 0.8767 at 30.00 °C (Aminabhavi and Banerjee, 1998b) 0.87635 at 25.00 °C (Natividade et al., 2001) Diffusivity in water (x 10-5 cm2/sec): 1.12 at 25 °C, 1.69 at 45 °C (Frey and King, 1982) Flash point (°C): 13 (NFPA, 1984) Lower explosive limit (%): 1.7 at 38 °C (NFPA, 1984) Upper explosive limit (%): 8 (NFPA, 1984) Henry’s law constant (x 10-4 atm⋅m3/mol): 2.17 at 25 °C (Kieckbusch and King, 1979) 2.69 at 25 °C (static headspace-GC, Welke et al., 1998) 5.54 at 37 °C (static headspace-GC, van Ruth et al., 2001) Ionization potential (eV): 10.04 ± 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
acetate is not expected to be significant. Octanol/water partition coefficient, log Kow: 1.24 (generator column-HPLC, Tewari et al., 1982; generator column-HPLC/GC, Wasik et al., 1981) Solubility in organics: Miscible with alcohol, ether (Windholz et al., 1983), hydrocarbons, and ketones (Hawley, 1981) Solubility in water: 18,900 mg/L at 20 °C, 26,000 mg/L at 20 °C (quoted, Verschueren, 1983) 16 g/L at 16 °C (quoted, Windholz et al., 1983) 200 mM at 25.0 °C (generator column-HPLC, Tewari et al., 1982; generator column-HPLC/GC,
Wasik et al., 1981) 10.3 g/L in artificial seawater at 25 °C (Price et al., 1974) 185 mM at 20 °C (shake flask-turbidimetric, Fühner, 1924) In wt % (°C): 3.21 (0), 2.78 (9.5), 2.26 (20.0), 1.98 (30.0), 1.87 (40.0), 1.72 (50.0), 1.66 (80.0),
1.35 (90.2) (shake flask-GC, Stephenson and Stuart, 1986) 22.6 g/kg at 25 °C (Butler and Ramchandani, 1935) Vapor density: 4.17 g/L at 25 °C, 3.53 (air = 1) Vapor pressure (mmHg): 25 at 20 °C, 35 at 25 °C, 42 at 30 °C (quoted, Verschueren, 1983) 33 at 25 °C (Butler and Ramchandani, 1935) 71.90 at 40.00 °C (Van Ness method, Alderson et al., 2003) Environmental fate: Photolytic. Reported rate constants for the reaction of n-propyl acetate and OH radicals in the atmosphere and aqueous solution are 2.7 x 10-12 cm3/molecule⋅sec (Hendry and Kenley, 1979) and 2.30 x 10-13 cm3/molecule⋅sec (Wallington et al., 1988b). Chemical/Physical. Slowly hydrolyzes in water forming acetic acid and 1-propanol. At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 248 mg/L. The adsorbability of the carbon used was 149 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 200 ppm (840 mg/m3), STEL 250 ppm (1,050 mg/m3), IDLH 1,700 ppm; OSHA PEL: TWA 200 ppm; ACGIH TLV: TWA 200 ppm, STEL 250 ppm (adopted). Symptoms of exposure: Vapors may irritate eyes, nose, and throat and cause narcotic effects. Ingestion may cause narcotic action. At high concentrations death may occur (Patnaik, 1992). Toxicity: Acute oral LD50 in mice 8,300 mg/kg, rats 9,370, rabbits 6,640 mg/kg (Patnaik, 1992). Uses: Manufacture of flavors and perfumes; solvent for plastics, cellulose products, and resins; lacquers, paints; natural and synthetic resins; lab reagent; organic synthesis.
