| Identification | More | [Name]
2-Methylhexane | [CAS]
591-76-4 | [Synonyms]
2-METHYLHEXANE
ISOHEPTANE
2-methyl-hexan
d726
ethylisobutylmethane
hexane,2-methyl-
Methylhexane
NSC-24840 | [EINECS(EC#)]
209-730-6 | [Molecular Formula]
C7H16 | [MDL Number]
MFCD00009487 | [Molecular Weight]
100.2 | [MOL File]
591-76-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [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) | [Uses]
Organic synthesis. | [CAS DataBase Reference]
591-76-4(CAS DataBase Reference) | [EPA Substance Registry System]
2-Methylhexane (591-76-4) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn,N | [Risk Statements ]
R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness. | [Safety Statements ]
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label . | [RIDADR ]
UN 3295 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
MO3871500
| [Autoignition Temperature]
536 °F | [HazardClass ]
3.1 | [PackingGroup ]
II | [HS Code ]
29011000 |
| Hazard Information | Back Directory | [Hazard]
Flammable, dangerous fire risk, explosivelimits in air 1–6%. | [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). | [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.] |
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| Company Name: |
Energy Chemical
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http://www.energy-chemical.com |
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