ABSTRACT
CH3 CH3 CASRN: 108-21-4; DOT: 1220; DOT label: Combustible liquid; molecular formula: C5H10O2; FW: 102.13; RTECS: AI4930000; Merck Index: 12, 5224 Physical state, color, and odor: Clear, colorless liquid with an aromatic odor. Experimentally determined detection and recognition odor threshold concentrations were 2.1 mg/m3 (500 ppbv) and 3.8 mg/m3 (910 ppbv), respectively (Hellman and Small, 1974). Melting point (°C): -73.4 (Weast, 1986) -69.3 (Sax and Lewis, 1987) Boiling point (°C): 88.39 (Cheng et al., 1997) 88.7 (Resa et al., 2001) Density (g/cm3): 0.88919 at 5 °C, 0.87781 at 15 °C, 0.86627 at 25 °C, 0.85457 at 35 °C, 0.84273 at 45 °C (Sakurai
et al., 1996) 0.8721 at 20.00 °C (Cheng et al., 1997) 0.86618 at 25.00 °C (Resa et al., 2001) Diffusivity in water (x 10-5 cm2/sec): 0.80 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 2.2 (NIOSH, 1997) 2-4 (open cup, Windholz et al., 1983) Lower explosive limit (%): 1.8 at 38.1 °C (NIOSH, 1997) Upper explosive limit (%): 8.0 (NIOSH, 1997) Henry’s law constant (x 10-4 atm⋅m3/mol): 2.81 at 25 °C (Hine and Mookerjee, 1975) Interfacial tension with water (dyn/cm at 25 °C): 10.0 (quoted, Freitas et al., 1997) Ionization potential (eV): 9.98 ± 0.02 (Franklin et al., 1969) 10.08 (Gibson et al., 1977)
oc Unavailable because experimental methods for estimation of this parameter for aliphatic esters are lacking in the documented literature Octanol/water partition coefficient, log Kow: 1.02 (shake flask, Abraham et al., 1994) Solubility in organics: Miscible with alcohol and ether (Windholz et al., 1983) Solubility in water: 0.303 M at 20 °C (shake flask-turbidimetric, Fühner, 1924) In wt %: 4.08 at 0 °C, 3.46 at 9.0 °C, 2.79 at 19.9 °C, 2.44 at 29.7 °C, 2.19 at 39.8 °C, 2.07 at 50.0
°C, 1.92 at 62.2 °C, 1.80 at 74.6 °C (shake flask-GC, Stephenson and Stuart, 1986) Vapor density: 4.17 g/L at 25 °C, 3.53 (air = 1) Vapor pressure (mmHg): 47.5 at 20 °C, 73 at 25 °C (quoted, Verschueren, 1983) Environmental fate: Chemical/Physical. Hydrolyzes in water forming isopropyl alcohol and acetic acid (Morrison and Boyd, 1971). The estimated hydrolysis half-life at 25 °C and pH 7 is 8.4 yr (Mabey and Mill, 1978). At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 319 mg/L. The adsorbability of the carbon used was 137 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: IDLH 1,800 ppm; OSHA PEL: TWA 250 ppm (950 mg/m3); ACGIH TLV: TWA 250 ppm, STEL 310 ppm (adopted) and proposed TWA and STEL values of 100 and 200 ppm, respectively. Symptoms of exposure: May irritate eyes, nose, and throat (Patnaik, 1992) Toxicity: Acute oral LD50 for rats 3,000 mg/kg, rabbits 6,949 mg/kg (quoted, RTECS, 1985). TLm values for brine shrimp after 24 and 48 h of exposure were 810 and 110 mg/L, respectively (Price et al., 1974). Toxicity threshold for Pseudomonas putida is 190 mg/L (Bringmann and Kühn, 1980). 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 plastics, oils, fats, and cellulose derivatives; perfumes; paints, lacquers, and printing inks; odorant and flavoring agent; in organic synthesis.
