ABSTRACT
O CASRN: 106-35-4; DOT: 1224; molecular formula: C7H14O; FW: 114.19; RTECS: MJ5250000 Physical state, color, and odor: Colorless liquid with a strong, fruity odor Melting point (°C): -39 (Weast, 1986) Boiling point (°C): 147.8 (Dean, 1987) Density (g/cm3): 0.8183 at 20 °C (Weast, 1986) 0.8145 at 25.00 °C (Zhao et al., 2001) Diffusivity in water (x 10-5 cm2/sec): 0.73 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 46.5 (open cup, NIOSH, 1997) 41 (Aldrich, 1990) Henry’s law constant (atm⋅m3/mol): 4.38 x 10-4 at 37 °C (static headspace-GC, Bylaite et al., 2004) Ionization potential (eV): 9.02 (NIOSH, 1997) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for aliphatic ketones are lacking in the documented literature Octanol/water partition coefficient, log Kow: 1.32 using method of Hansch et al. (1968) Solubility in organics: Soluble in alcohol, ether (Weast, 1986), and in many other organic solvents, particularly ketones such as 2-butanone, acetone, etc. Solubility in water: 14,300 mg/L at 20 °C (quoted, Verschueren, 1983) In wt %: 0.717 at 0 °C, 0.586 at 9.3 °C, 0.479 at 20.5 °C, 0.431 at 30.7 °C, 0.385 at 39.6 °C, 0.333
at 50.0 °C, 0.309 at 59.8 °C, 0.366 at 70.2 °C, 0.310 at 79.9 °C, 0.309 at 90.1 °C (shake flaskGC, Stephenson, 1992)
4.67 g/L at 25 °C, 3.94 (air = 1) Vapor pressure (mmHg): 4 at 20 °C (NIOSH, 1997) 1.4 at 25 °C (quoted, Verschueren, 1983) Environmental fate: Chemical/Physical. 3-Heptanone will not hydrolyze because it has no hydrolyzable functional group. Exposure limits: NIOSH REL: TWA 50 ppm (230 mg/m3), IDLH 1,000 ppm; OSHA PEL: TWA 50 ppm; ACGIH TLV: TWA 50 ppm, STEL 75 ppm (adopted). Symptoms of exposure: May cause irritation of the eyes, skin, and mucous membranes (Patnaik, 1992) Toxicity: Acute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985). Uses: Solvent mixtures for nitrocellulose and polyvinyl resins; in organic synthesis.
