3-METHYLHEXANE Property

Melting point:

−119 °C(lit.)

Boiling point:

91 °C(lit.)

Density 

0.687 g/mL at 25 °C(lit.)

vapor pressure 

2.13 psi ( 37.7 °C)

refractive index 

n20/D 1.388(lit.)

Flash point:

25 °F

solubility 

Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.

form 

clear liquid

color 

Colorless to Almost colorless

Odor Threshold

0.84ppm

explosive limit

~7%

Water Solubility 

2.64mg/L(25 ºC)

BRN 

1718739

Henry's Law Constant

2.38 at 25 °C (Mackay and Shiu, 1981)

Dielectric constant

1.9299999999999999

LogP

4.118 (est)

CAS DataBase Reference

589-34-4(CAS DataBase Reference)

EPA Substance Registry System

3-Methylhexane (589-34-4)

Safety

Hazard Codes 

F,Xn,N

Risk Statements 

11-38-50/53-65-67

Safety Statements 

9-16-29-33-60-61-62

RIDADR 

UN 1206 3/PG 2

WGK Germany 

1

Autoignition Temperature

536 °F

HS Code 

2901.10.5000

HazardClass 

3.1

PackingGroup 

II

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

H336May cause drowsiness or dizziness

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P273Avoid release to the environment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P331Do NOT induce vomiting.

3-METHYLHEXANE Chemical Properties,Usage,Production

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/molecule?sec 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.]