| Identification | More | [Name]
3-METHYLPENTANE | [CAS]
96-14-0 | [Synonyms]
(+/-)-3-METHYLPENTANE
3-METHYLPENTANE
DIETHYLMETHYLMETHANE
METHYL DIETHYL METHANE
(C2H5)2CHCH3
3-Methylpentan
3-methyl-pentan
pentane,3-methyl-
3-METHYLPENTANE, 99+%
3-METHYLPENTANE, STANDARD FOR GC
3-METHYLPENTANE, 1000MG, NEAT
C6ISOMERSOFHEXANE
HEXANEISOMERS
2-Ethylbutane | [EINECS(EC#)]
202-481-4 | [Molecular Formula]
C6H14 | [MDL Number]
MFCD00009342 | [Molecular Weight]
86.18 | [MOL File]
96-14-0.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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 | [Stability:]
Stable. Highly flammable. Incompatible with strong oxidizing agents. | [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). | [LogP]
3.6 at 20℃ and pH7 | [Uses]
Organic synthesis, solvent. | [CAS DataBase Reference]
96-14-0(CAS DataBase Reference) | [EPA Substance Registry System]
3-Methylpentane (96-14-0) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn,N | [Risk Statements ]
R11:Highly Flammable.
R36:Irritating to the eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S33:Take precautionary measures against static discharges .
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 1208 3/PG 2
| [WGK Germany ]
2
| [RTECS ]
SA2995500 | [Autoignition Temperature]
532 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29011000 | [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. | [Hazardous Substances Data]
96-14-0(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Hazard]
Flammable, dangerous fire risk. | [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. | [Chemical Properties]
colourless liquid | [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). | [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. | [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.] |
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