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| | 3-METHYLPENTANE Basic information |
| | 3-METHYLPENTANE Chemical Properties |
| Melting point | -118 °C | | Boiling point | 64 °C(lit.) | | density | 0.664 g/mL at 25 °C(lit.) | | vapor density | 2.97 (vs air) | | vapor pressure | 135 mm Hg ( 17 °C) | | refractive index | n20/D 1.376(lit.) | | Fp | 20 °F | | storage temp. | Flammables area | | solubility | In methanol, g/L: 389 at 5 °C, 450 at 10 °C, 530 at 15 °C, 650 at 20 °C, 910 at 25 °C. Miscible at
higher temperatures (Kiser et al., 1961). | | form | Liquid | | color | Clear colorless | | explosive limit | ~7.7% | | Odor Threshold | 8.9ppm | | Water Solubility | Soluble in water. 0.013 g/L at 20°C). Miscible in ether, acetone. Soluble in ethanol. | | BRN | 1730734 | | Henry's Law Constant | 1.693 atm?m3/mol at 25 °C (Hine and Mookerjee, 1975) | | Dielectric constant | 1.8899999999999999 | | Exposure limits | ACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and
1,000 ppm, respectively (adopted). | | Stability: | Stable. Highly flammable. Incompatible with strong oxidizing agents. | | InChI | 1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 | | InChIKey | PFEOZHBOMNWTJB-UHFFFAOYSA-N | | SMILES | CCC(C)CC | | LogP | 3.6 at 20℃ and pH7 | | CAS DataBase Reference | 96-14-0(CAS DataBase Reference) | | EPA Substance Registry System | 3-Methylpentane (96-14-0) |
| Hazard Codes | F,Xn,N | | Risk Statements | 11-36-51/53-65-67-38 | | Safety Statements | 16-23-33-61-62-29-9 | | OEB | A | | OEL | TWA: 100.0 ppm; 350.0 mg/m3, STEL: 510.0 ppm; 1800.0 mg/m3 | | RIDADR | UN 1208 3/PG 2 | | WGK Germany | 2 | | RTECS | SA2995500 | | Autoignition Temperature | 532 °F | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29011000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Chronic 2
Asp. Tox. 1
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 | | Hazardous Substances Data | 96-14-0(Hazardous Substances Data) |
| | 3-METHYLPENTANE Usage And Synthesis |
| Chemical Properties | colourless liquid | | Chemical Properties | 3-Methylpentane, C6H14, is a colorless, flammable liquid
with specific gravity 0.664. It occurs in petroleum and
natural gas, and may be released to the environment in
evaporative losses, wastewater, spills, and combustion
exhaust. | | Physical properties | Clear, colorless, flammable liquid with an odor similar to hexane, heptane, and similar aliphatic
hydrocarbons. An odor threshold concentration of 8.9 ppmv was reported by Nagata and Takeuchi
(1990). | | Uses | 3-Methylpentane is a component of three typical commercial
hexanes, obtained from the fractionation of
natural gas liquids, a refinery operation involving hydrogenation,
and a stream meeting polymerization.
Other than for fuel, it is used in extraction of oil from
seeds and as a solvent and reaction medium in the manufacture
of polyolefins, synthetic rubbers, and some
pharmaceuticals. | | Uses | 3-Methylpentane is used as a solvent in the preparation of vegetable oils, glues, coatings, and paints. It is also used in gasoline, rubber solvent, and petroleum ether. | | Uses | Organic synthesis, solvent. | | Definition | ChEBI: 3-methylpentane is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has a role as a human metabolite, an allelochemical and a non-polar solvent. It is an alkane and a volatile organic compound. | | Hazard | Flammable, dangerous fire risk. | | Safety Profile | May have narcotic or
anesthetic properties. A very dangerous fire
hazard when exposed to heat or flame; can
react vigorously with oxidizing materials.
Explosive in the form of vapor when
exposed to heat or flame. To fight fire, use
foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and
irritating fumes. | | Synthesis | (1) preparing a raw material, said raw material comprising light naphtha; (2) carrying out a catalytic hydrogenation reaction on the light naphtha until it is complete, to obtain an intermediate product A, the content of benzene in the intermediate product A being 0.01%, and the content of sulfur being 0.4 ppm; the process parameters of the catalytic hydrogenation reaction being: a temperature of 140?? C., the volume ratio of hydrogen to oil being 120:1, the reaction pressure being 0.2MPa The catalyst used was loaded nickel skeleton. (3) Intermediate product A was mixed with water and added to a first azeotropic distillation column for azeotropic distillation, and an azeotrope of water and 2,3-dimethylbutane was obtained from the top of the first azeotropic distillation column, and intermediate product B was obtained from the bottom of the column. (4) Intermediate product B was mixed with water and added to a second azeotropic distillation column for azeotropic distillation, and an azeotrope of water and 2 -methylpentane azeotrope, separating water and 2-methylpentane after condensation; the bottom of the tower is discharged into the third azeotropic distillation column for azeotropic distillation, obtaining the azeotrope of water and 3-methylpentane from the top of the tower, separating water after condensation to obtain 3-methylpentane, wherein the 3-methylpentane contains n-hexane with a volume fraction of less than 8%; and obtaining n-hexane from the bottom of the tower. The above 3-methylpentane was adsorbed using 5A molecular sieve at atmospheric pressure and 110?? C. The adsorption bed air velocity was 0.33 h-1, the regeneration pressure was -90 kPag, and the adsorption capacity of the adsorbent was 10 kg/m3, and the purity of 3-methylpentane was obtained to 99.9% after adsorption and separation, and the 5A molecular sieve was regenerated using the high-temperature water vapor displacement method to obtain desorption products, and the desorption products were incorporated into n-hexane. The product was incorporated into n-hexane. | | Source | Schauer et al. (1999) reported 3-methylpentane in a diesel-powered medium-duty truck
exhaust at an emission rate of 670 μg/km.
California Phase II reformulated gasoline contained 3-methylpentane at a concentration of 22.7
g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without
catalytic converters were 3.76 and 512 mg/km, respectively (Schauer et al., 2002). | | Environmental fate | Photolytic. The following rate constants were reported for the reaction of 3-methylpentane and
OH radicals in the atmosphere: 4.30 x 10-9 cm3/molecule?sec at 300 K (Darnall et al., 1976); 6.8 x
10-12 cm3/molecule?sec at 305 K (Darnall et al., 1978); 5.7 x 10-12 cm3/molecule?sec (Altshuller,
1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3-
Methylpentane will not hydrolyze because it does not contain a hydrolyzable functional group. | | Purification Methods | Purify it by azeotropic distillation with MeOH, as for 2-methylpentane. Purify it for ultraviolet spectroscopy by passing it through columns of silica gel or alumina activated by heating for 8hours at 210o under a stream of nitrogen. Alternatively treat it with conc (or fuming) H2SO4, then wash it with water, aqueous 5% NaOH, water again, then dry (CaCl2, then sodium), and distil it through a long, glass helices-packed, column. [Beilstein 1 IV 363.] | | Toxics Screening Level | The initial threshold screening level (ITSL) for 3-methylpentane is 3,500 μg/m3 based on an 8 hr. averaging time. |
| | 3-METHYLPENTANE Preparation Products And Raw materials |
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