3-Methylhexane

Chemical Properties

CLEAR COLOURLESS LIQUID

Physical properties

Clear, colorless liquid with an odor similar to hexane. An odor threshold concentration of 840 ppb_v was reported by Nagata and Takeuchi (1990).

Uses

3-Methylhexane can be used as a model alkane to study:

• Cu-catalyzed hydrocarboxylation of simple alkanes to corresponding branched monocarboxylic acids in aqueous medium at low-temperature.
• Au-catalyzed oxygenation of alkanes with H₂O₂ in acetonitrile.
• FeCI₃ catalyzed photooxygenation of simple alkanes to corresponding alcohols in presence of atmospheric O₂.

Uses

Organic synthesis, oil extender solvent.

Definition

ChEBI: 3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is an alkane and a volatile organic compound.

Hazard

Flammable, dangerous fire risk.

Source

Schauer et al. (1999) reported 3-methylhexane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 3-methylhexane at a concentration of 16.2 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.95 and 415 mg/km, respectively (Schauer et al., 2002).

Environmental Fate

Photolytic. Based on a reported photooxidation reaction rate constant of 7.20 x 10^-12 cm³/moleculesec with OH radicals, the half-life of 3-methylhexane is 20 h (Altshuller, 1990).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3- Methylhexane will not hydrolyze because it does not contain a hydrolyzable functional group.

Purification Methods

Purify it as for 2-methylhexene. [Beilstein 1 IV 399.]

Toxics Screening Level

The initial threshold screening level (lTSL) for 3-methylhexane is 3,500 μg/m3 based on an 8 hr. averaging time.