ABSTRACT
Note: Commerially available allyl alcohol may contain allyl chloride, 1-propanol and propanal as impurities. CASRN: 107-18-6; DOT: 1098; DOT label: Flammable liquid; poison; molecular formula: C3H6O; FW: 58.08; RTECS: BA5075000; Merck Index: 12, 294 Physical state, color, and odor: Colorless, mobile liquid with a pungent, mustard-like odor at high concentrations. At low concentrations, odor resembles that of ethyl alcohol. Katz and Talbert (1930) and Dravnieks (1974) reported experimental detection odor threshold concentrations of 3.3 mg/m3 (1.4 ppmv) and 5 mg/m3 (2.1 ppmv), respectively. Melting point (°C): -129 (Weast, 1986) Boiling point (°C): 97.1 (Weast, 1986) Density (g/cm3): 0.85511 at 15 °C (quoted, Riddick et al., 1986) 0.8540 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 1.10 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 21.1 (open cup, Windholz et al., 1983) 22.2 (closed cup, NFPA, 1997) Lower explosive limit (%): 2.5 (NIOSH, 1994) Upper explosive limit (%): 18.0 (NIOSH, 1994) Henry’s law constant (x 10-6 atm⋅m3/mol): 5.00 at 25 °C (Hine and Mookerjee, 1975) Ionization potential (eV): 9.67 ± 0.03 (Lias, 1998) Soil organic carbon/water partition coefficient, log Koc: 0.51 (calculated, Mercer et al., 1990)
ow 0.17 (quoted, Leo et al., 1971) Solubility in organics: Miscible with alcohol, chloroform, ether, and petroleum ether (Windholz et al., 1983) Solubility in water: Miscible (Gunther et al., 1968) Vapor density: 2.37 g/L at 25 °C, 2.01 (air = 1) Vapor pressure (mmHg): 20 at 20 °C, 32 at 30 °C (quoted, Verschueren, 1983) 28.1 at 25 °C (Banerjee et al., 1990) 58.6 at 40 °C, 392.5 at 80 °C (Wilding et al., 2002a) Environmental fate: Biological. Bridié et al. (1979) reported BOD and COD values of 1.79 and 2.12 g/g using filtered effluent from a biological sanitary waste treatment plant. These values were determined using a standard dilution method at 20 °C for a period of 5 d. The ThOD for allyl alcohol is 2.21 g/g. Photolytic. Atkinson (1985) reported a rate constant of 2.59 x 10-11 cm3/molecule⋅sec at 298 K. Based on an atmospheric OH concentration of 1.0 x 106 molecule/cm3, the reported half-life of allyl alcohol is 0.35 d. The reaction of allyl alcohol results in the OH addition to the C=C bond (Grosjean, 1997). In a similar study, Orlando et al. (2001) studied the reaction of allyl alcohol with OH radicals at 298 K. Photolysis was conducted using a xenon-arc lamp within the range of 240400 nm in synthetic air at 700 mmHg. A rate constant of 4.5 x 10-11 cm3/molecule⋅sec was reported. Products identified were formaldehyde, glycolaldehyde, and acrolein. Chemical/Physical. Slowly polymerizes with time into a viscous liquid (Windholz et al., 1983). Polymerization may be caused by elevated temperatures, oxidizers, or peroxides (NIOSH, 1997). Irradiation of an aqueous solution at 50 °C for 24 h resulted in a 13.9% yield of carbon dioxide (Knoevenagel and Himmelreich, 1976). At an influent concentration of 1,010 mg/L, treatment with GAC resulted in an effluent concentration of 789 mg/L. The adsorbability of the carbon used was 24 mg/g carbon (Guisti et al., 1974). Exposure limits: NIOSH REL: TWA 2 ppm (5 mg/m3), STEL 4 ppm (10 mg/m3), IDLH 20 ppm; OSHA PEL: TWA 2 ppm; ACGIH TLV: TWA 2 ppm, STEL 4 ppm. Symptoms of exposure: Inhalation may cause severe irritation of mucous membranes. Ingestion may cause irritation of intestinal tract (Patnaik, 1992). An irritation concentration of 12.5 mg/m3 in air was reported by Ruth (1986). Toxicity: LC50 (inhalation) for mice 500 mg/m3/2-h, rats 76 ppm/8-h; LD50 for rats 64 mg/kg, mice 96 mg/kg, rabbits 71 mg/kg (quoted, RTECS, 1985). Uses: Manufacture of acrolein, allyl compounds, glycerol, plasticizers, resins, military poison gas; contact pesticide for weed seeds and certain fungi; intermediate for pharmaceuticals and other organic compounds; herbicide.
