3-METHYLHEXANE Chemical Properties

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 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 1206 3/PG 2

WGK Germany 

1

Autoignition Temperature

536 °F

HS Code 

2901.10.5000

HazardClass 

3.1

PackingGroup 

II

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

3-METHYLHEXANE Usage And Synthesis

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.]

3-METHYLHEXANE(589-34-4)Related Product Information

• PINONIC ACID
• 2-Ethylhexyl bromide
• 2-Ethylhexanoyl chloride
• (1R)-(+)-ALPHA-PINENE
• beta-Pinene
• 3-CARENE
• (-)-MYRTENOL
• 2-Ethylhexyl chloroformate
• (-)-CIS-MYRTANYLAMINE
• ALPHA-PINENE
• (-)-VERBENONE
• PERHYDROFLUORENE
• ALPHA-(-)-THUJONE
• 2-METHYLOCTANE
• PHENYLETHYNYL TRIMETHYLSILANE
• BIS(PENTAFLUOROPHENYL)DIMETHYLSILANE
• 1,1,1-TRIFLUORO-5-METHYLHEXANE-2,4-DIONE
• (2-BROMOETHYL)TRIMETHYLSILANE