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Heptane

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Heptane Basic information
Heptane Chemical Properties
  • Melting point:−91 °C(lit.)
  • Boiling point:98 °C(lit.)
  • Density 0.684 g/mL at 20 °C
  • vapor density 3.5 (vs air)
  • vapor pressure 40 mm Hg ( 20 °C)
  • refractive index n20/D 1.397
  • Flash point:30 °F
  • storage temp. 2-8°C
  • solubility acetone: miscible(lit.)
  • pka>14 (Schwarzenbach et al., 1993)
  • form Liquid
  • color ≤10(APHA)
  • Specific Gravity0.684 (20/4℃)
  • Relative polarity0.012
  • OdorGasoline.
  • Odor Threshold0.67ppm
  • explosive limit1-7%(V)
  • Water Solubility practically insoluble
  • λmaxλ: 200 nm Amax: ≤1.0
    λ: 225 nm Amax: ≤0.10
    λ: 250 nm Amax: ≤0.01
    λ: 300-400 nm Amax: ≤0.005
  • Merck 14,4659
  • BRN 1730763
  • Henry's Law Constant0.901, 1.195, and 1.905(atm?m3/mol) at 26.0, 35.8, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995)
  • Exposure limitsNIOSH REL: TWA 85 ppm (350 mg/m3), 15-min ceiling 440 ppm (1,800 mg/m3), IDLH 750 ppm; OSHA PEL: TWA 500 ppm (2,000 mg/m3); ACGIH TLV: TWA 400 ppm, STEL 500 ppm (adopted).
  • Stability:Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air.
  • InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N
  • CAS DataBase Reference142-82-5(CAS DataBase Reference)
  • NIST Chemistry ReferenceHeptane(142-82-5)
  • EPA Substance Registry SystemHeptane (142-82-5)
Safety Information
MSDS
Heptane Usage And Synthesis
  • Chemical Propertiesn-Heptane is a flammable liquid, present in crude oil and widely used in the auto- mobile industry. For example, as a solvent, as a gasoline knock testing standard, as automotive starter fl uid, and paraffi nic naphtha. n-Heptane causes adverse health effects in occupational workers, such as CNS depression, skin irritation, and pain. Other compounds such as n-octane (CH 3 (CH 2 ) 6 CH 3 ), n-nonane (CH 3 (CH 2 ) 7 CH 3 ), and n-decane (CH 3 (CH 2 ) 8 CH 3 ) have different industrial applications. Occupational workers exposed to these compounds also show adverse health effects. In principle, manage- ment of these aliphatic compounds requires proper handling and disposal to avoid health problems and to maintain chemical safety standards for safety to workers and the living environment.
  • Chemical Propertiesn-Heptane is a clear liquid which is highly flammable and volatile with a mild, gasoline-like odor. The odor threshold is 40 547 ppm; also reported @ 230 ppm.
  • Physical propertiesClear, colorless, very flammable liquid with a faint, pleasant odor resembling hexane or octane. Based on a triangle bag odor method, an odor threshold concentration of 670 ppbv was reported by Nagata and Takeuchi (1990).
  • UsesSuitable for HPLC, spectrophotometry, environmental testing
  • UsesAs standard in testing knock of gasoline engines.
  • Usesheptane is a solvent and viscosity-decreasing agent.
  • DefinitionA colorless liquid alkane obtained from petroleum refining. It is used as a solvent.
  • Definitionheptane: A liquid straight-chainalkane obtained from petroleum,C7H16; r.d. 0.684; m.p. -90.6°C; b.p.98.4°C. In standardizing octanenumbers, heptane is given a valuezero.
  • Production MethodsHeptane is produced in refining processes. Highly purified heptane is produced by adsorption of commercial heptane on molecular sieves.
  • Synthesis Reference(s)Tetrahedron Letters, 3, p. 43, 1962 DOI: 10.1007/BF01499754
  • General DescriptionClear colorless liquids with a petroleum-like odor. Flash point 25°F. Less dense than water and insoluble in water. Vapors heavier than air.
  • Air & Water ReactionsHighly flammable. Insoluble in water.
  • Reactivity ProfileHEPTANE is incompatible with the following: Strong oxidizers .
  • HazardToxic by inhalation. Flammable, dangerous fire risk.
  • Health HazardVAPOR: Not irritating to eyes, nose or throat. If inhaled, will cause coughing or difficult breathing. LIQUID: Irritating to skin and eyes. If swallowed, will cause nausea or vomiting.
  • Fire HazardFLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area.
  • Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
  • Potential Exposuren-Heptane is used in graphics, textiles, adhesives, and coatings; as an industrial solvent and in the petroleum refining process; as a standard in testing knock of gasoline engines.
  • SourceSchauer et al. (1999) reported heptane in a diesel-powered medium-duty truck exhaust at an emission rate of 470 g/km.
    Identified as one of 140 volatile constituents in used soybean oils collected from a processing plant that fried various beef, chicken, and veal products (Takeoka et al., 1996).
    Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of heptane was 28.9 mg/kg of pine burned. Emission rates of heptane were not measured during the combustion of oak and eucalyptus.
    California Phase II reformulated gasoline contained heptane at a concentration of 9,700 mg/kg.
    Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 1.82 and 268 mg/km, respectively (Schauer et al., 2002).
  • Environmental FateBiological. Heptane may biodegrade in two ways. The first is the formation of heptyl hydroperoxide, which decomposes to 1-heptanol followed by oxidation to heptanoic acid. The other pathway involves dehydrogenation to 1-heptene, which may react with water forming 1- heptanol (Dugan, 1972). Microorganisms can oxidize alkanes under aerobic conditions (Singer and Finnerty, 1984). The most common degradative pathway involves the oxidation of the terminal methyl group forming the corresponding alcohol (1-heptanol). The alcohol may undergo a series of dehydrogenation steps forming heptanal followed by oxidation forming heptanoic acid. The acid may then be metabolized by β-oxidation to form the mineralization products, carbon dioxide and water (Singer and Finnerty, 1984). Hou (1982) reported hexanoic acid as a degradation product by the microorganism Pseudomonas aeruginosa.
    Photolytic. The following rate constants were reported for the reaction of hexane and OH radicals in the atmosphere: 7.15 x 10-12 cm3/molecule?sec (Atkinson, 1990). Photooxidation reaction rate constants of 7.19 x 10-12 and 1.36 x 10-16 cm3/molecule?sec were reported for the reaction of heptane with OH and NO3, respectively (Sablji? and Güsten, 1990). Based on a photooxidation rate constant 7.15 x 10-12 cm3/molecule?sec for heptane and OH radicals, the estimated atmospheric lifetime is 19 h in summer sunlight (Altshuller, 1991).
    Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. Heptane will not hydrolyze because it has no hydrolyzable functional group.
  • ShippingUN1206 Heptanes, Hazard Class: 3; Labels: 3-Flammable liquid.
  • IncompatibilitiesMay form explosive mixture with air. Strong oxidizers may cause fire and explosions. Attacks some plastics, rubber and coatings. May accumulate static electric charges that can ignite its vapors.
  • Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Heptane Preparation Products And Raw materials
Heptane(142-82-5)Related Product Information
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