ABSTRACT
Note: Commercial formulations may contain hexachlorobenzene and octachlorocyclopentene as impurities. CASRN: 87-68-3; DOT: 2279; DOT label: Poison; molecular formula: C4Cl6; FW: 260.76; RTECS: EJ0700000 Physical state, color, and odor: Clear, yellowish-green liquid with a mild to pungent, turpentine-like odor. Odor threshold concentration is 6 ppb (quoted, Keith and Walters, 1992). Melting point (°C): -21 (Weast, 1986) Boiling point (°C): 215 (Weast, 1986) Density (g/cm3): 1.6820 at 20 °C (Melnikov, 1971) Diffusivity in water (x 10-5 cm2/sec): 0.65 at 20 °C using method of Hayduk and Laudie (1974) Henry’s law constant (x 10-3 atm⋅m3/mol): 26 (Pankow and Rosen, 1988) 10.3 at 25 °C (gas stripping-GC, Warner et al., 1987) 25.0 at 20 °C (Pearson and McConnell, 1975) 4.3 at 20 °C (gas stripping-GC, Oliver, 1985) 3.55, 5.87, 6.90, 10.5, and 15.3 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME,
Dewulf et al., 1999) Bioconcentration factor, log BCF: 3.76, 4.23 (Oncorhynchus mykiss, Devillers et al., 1996) 4.50 (Atlantic croakers), 3.97 (blue crabs), 4.06 (spotted sea trout), 4.55 (blue catfish) (Pereira et
al., 1988) 2.64 (Gambusia affinis, Laska et al., 1976) Soil organic carbon/water partition coefficient, log Koc: 6.1 (suspended sediment samples from the St. Clair and Detroit Rivers, Lau et al., 1989) Octanol/water partition coefficient, log Kow: 4.78 at 23 °C (shake flask-HPLC, Banerjee et al., 1980) 4.90 (Chiou, 1985; shake flask-GC, Pereira et al., 1988)
Soluble in ethanol and ether (U.S. EPA, 1985) Solubility in water (mg/L): 4.78 at 25 °C (shake flask-LSC, Banerjee et al., 1980) 4 at 20-25 °C (Geyer et al., 1980) Vapor density: 10.66 g/L at 25 °C, 9.00 (air = 1) Vapor pressure (mmHg): 0.15 at 20 °C (McConnell et al., 1975) Environmental fate: Chemical/Physical. Hexachlorobutadiene will not hydrolyze to any reasonable extent (Kollig, 1993). At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities were 258, 91, 21, and 11 mg/g, respectively (Dobbs and Cohen, 1980). Exposure limits: Potential occupational carcinogen. NIOSH REL: TWA 20 ppb (240 mg/m3); ACGIH TLV: TWA 0.02 ppm (adopted). Toxicity: LC50 (contact) for earthworm (Eisenia fetida) 10 µg/cm2 (Neuhauser et al., 1985). LC50 (14-d) for Poecilia reticulata 394 µg/L (Könemann, 1981). LC50 (48-h) for zebra fish 1 mg/L (Slooff, 1979). LC50 (inhalation) for rats 1,600 ppb/4-h; acute oral LD50 for rats 113 mg/kg (quoted, RTECS, 1985). LD50 (skin) for rabbits 430 mg/kg (quoted, RTECS, 1985). Acute oral LD50 for adult male rats 580 mg/kg, adult female rats 200-400 mg/kg (Kociba et al., 1977) Drinking water standard (tentative): MCLG: 1 µg/L; MCL: none proposed (U.S. EPA, 1996). In addition, a DWEL of 70 µg/L was recommended (U.S. EPA, 2000). Source: Hydraulic fluids and rubber (quoted, Verschueren, 1983). An impurity in aldrin. Uses: Solvent for elastomers, natural rubber, synthetic rubber; heat-transfer liquid; transformer and hydraulic fluid; wash liquor for removing C4 and higher hydrocarbons; sniff gas recovery agent in chlorine plants; chemical intermediate for fluorinated lubricants and rubber compounds; fluid for gyroscopes; fumigant for grapes. Not produced commercially in the U.S.
