Product Introduction
| 2-Methylhexane Basic information |
| Product Name: | 2-Methylhexane |
| Synonyms: | 2-methyl-hexan;d726;ethylisobutylmethane;hexane,2-methyl-;ISOHEPTANE;Methylhexane;2-Methylhexane, 99% 5ML;NSC-24840 |
| CAS: | 591-76-4 |
| MF: | C7H16 |
| MW: | 100.2 |
| EINECS: | 209-730-6 |
| Product Categories: | |
| Mol File: | 591-76-4.mol |
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| 2-Methylhexane Chemical Properties |
| Melting point | -118 °C |
| Boiling point | 90 °C(lit.) |
| density | 0.679 g/mL at 25 °C(lit.) |
| vapor pressure | 2.27 psi ( 37.7 °C) |
| refractive index | n20/D 1.384(lit.) |
| Fp | 25 °F |
| storage temp. | Flammables area |
| solubility | Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons. |
| form | Liquid |
| color | Clear colorless |
| explosive limit | ~7% |
| Water Solubility | 3.8 mg/L at 23 °C (Coates et al., 1985) 2.54 mg/kg at 25 °C (shake flask-GLC, Price, 1976) |
| BRN | 1696856 |
| Henry's Law Constant | 0.512 atm?m3/mol at 26.9 °C, 0.311 at 35.0 °C, 0.256 at 45.0 °C (dynamic headspace, Hansen et al., 1995) |
| Dielectric constant | 1.9(20℃) |
| LogP | 4.118 (est) |
| CAS DataBase Reference | 591-76-4(CAS DataBase Reference) |
| EPA Substance Registry System | 2-Methylhexane (591-76-4) |
| Safety Information |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN 3295 3/PG 2 |
| WGK Germany | 3 |
| RTECS | MO3871500 |
| Autoignition Temperature | 536 °F |
| HazardClass | 3.1 |
| PackingGroup | II |
| HS Code | 29011000 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ACROS | English |
| 2-Methylhexane Usage And Synthesis |
| Chemical Properties | clear colorless liquid |
| Physical properties | Clear, colorless, flammable, watery liquid with an odor similar to pentane, 2-methylpentane, 3- methylpentane, hexane, and 3-hexane. An odor threshold concentration of 420 ppbv was reported by Nagata and Takeuchi (1990). |
| Uses | 2-Methylhexane is mainly used as a model iso-alkane in studies relating to iso-alkane oxidation, vapor-liquid phase equilibria of heptane isomers and catalytic cracking. |
| Uses | Organic synthesis. |
| Hazard | Flammable, dangerous fire risk, explosivelimits in air 1–6%. |
| Source | Schauer et al. (1999) reported 2-methylhexane in a diesel-powered medium-duty truck exhaust at an emission rate of 570 μg/km. 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 2-methylhexane was 2.6 mg/kg of pine burned. Emission rates of 2-methylhexane were not measured during the combustion of oak and eucalyptus. California Phase II reformulated gasoline contained 2-methylhexane at a concentration of 15.3 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.88 and 372 mg/km, respectively (Schauer et al., 2002). |
| Environmental fate | Biological. Riser-Roberts (1992) reported 2- and 5-methylhexanoic acids as metabolites by the microorganism Pseudomonas aeruginosa. Photolytic. Based on a reported photooxidation reaction rate constant of 6.80 x 10-12 cm3/molecule?sec with OH radicals, the half-life of 2-methylhexane is 25 h (Altshuller, 1990). Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 2- Methylhexane will not hydrolyze because it does not contain a hydrolyzable functional group. |
| Purification Methods | Purify it by azeotropic distillation with MeOH, then wash it with water (to remove the MeOH), dry it over type 4A molecular sieves and distil it. [Beilstein 1 IV 397.] |
| 2-Methylhexane Preparation Products And Raw materials |
| Raw materials | Butylcyclopropane-->5-METHYL-3-HEXANOL-->2-METHYL-2-HEXENE-->2-METHYL-3-HEXANOL-->ETHYLCYCLOPENTANE-->2,2-Dimethylpentane-->3-METHYLHEXANE-->1,3-DIMETHYLCYCLOPENTANE-->Methylcyclopentane-->1,1-DIMETHYLCYCLOPENTANE-->2-methylpentane-->Cyclohexane, methyl-, radical ion(1+)-->n-Butane-->ISOBUTANE-->Heptane-->Hexane |
| Preparation Products | 2-METHYL-2-HEXANOL-->2,4-DIMETHYLPENTANE |
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