2,3-Dimethylbutane Chemical Properties

Melting point:

-129 °C

Boiling point:

58 °C(lit.)

Density 

0.662 g/mL at 25 °C(lit.)

vapor density 

3 (vs air)

vapor pressure 

7.41 psi ( 37.7 °C)

refractive index 

n20/D 1.375(lit.)

Flash point:

−28 °F

storage temp. 

Flammables area

solubility 

In methanol: 495, 593, 760, and 1,700 g/L at 5, 10, 15, and 20 °C, respectively. Miscible at higher temperatures (Kiser et al., 1961).

form 

Liquid

pka

>14 (Schwarzenbach et al., 1993)

color 

Colorless

explosive limit

~7.7%

Odor Threshold

0.42ppm

Water Solubility 

Soluble in water (1mg/ml @22°C), DMSO, ethanol, acetone.

BRN 

1730737

Henry's Law Constant

1.28(atm?m³/mol) at 25 °C (Mackay and Shiu, 1981)

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).

Stability:

Stable. Flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents, oxygen.

InChIKey

ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

LogP

3.42

CAS DataBase Reference

79-29-8(CAS DataBase Reference)

EPA Substance Registry System

2,3-Dimethylbutane (79-29-8)

Safety Information

Hazard Codes 

F,Xn,N

Risk Statements 

11-65-67-51/53-38

Safety Statements 

16-23-33-62-61-29-9

RIDADR 

UN 2457 3/PG 2

OEB

A

OEL

TWA: 100.0 ppm; 350.0 mg/m3, STEL: 510.0 ppm; 1800.0 mg/m3

WGK Germany 

3

RTECS 

EJ9350000

Autoignition Temperature

788 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29011000

Hazardous Substances Data

79-29-8(Hazardous Substances Data)

MSDS

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

2,3-Dimethylbutane Usage And Synthesis

Description

2,3-Dimethylbutane is a colorless liquid.Molecular weight= 86.20; Boiling point = 58℃; Flashpoint= 229℃; Autoignition temperature= 405℃.Explosive limits: LEL = 1.2%; UEL= 7.0%. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 0. Insoluble in water

Chemical Properties

2,3-Dimethylbutane, C6H14, is a flammable liquid with a specific gravity of 0.66164. It is released into the atmosphere from automobile, biomass combustion, and gasoline vapor emissions.

Physical properties

Colorless liquid with a mild gasoline-like odor. An odor threshold concentration of 4.2 ppm_v was reported by Nagata and Takeuchi (1990).

Uses

2,3-Dimethylbutane is a branched saturated hydrocarbon for proteomics research. It is used in organic synthesis, catalytic agent, petrochemical additive.

Uses

2,3-Dimethylbutane is used in high octane fuels and in organic synthesis. It is also used as a gas chromatography standard.

Production Methods

2,3-Dimethylbutane is produced from crude oil, natural liquid gases, and petroleum refining processes.

Definition

ChEBI: 2,3-dimethylbutane is an alkane that is butane substituted by a methyl group at positions 2 and 3. It is an alkane and a volatile organic compound. It derives from a hydride of a butane.

General Description

A clear colorless liquid with a petroleum-like odor. Flash point -20°F. Less dense than water and insoluble in water. Vapors heavier than air.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Saturated aliphatic hydrocarbons, such as 2,3-DIMETHYLBUTANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. 2,3-DIMETHYLBUTANE is incompatible with oxidizing materials. 2,3-DIMETHYLBUTANE is also incompatible with oxygen. .

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Flammability and Explosibility

Flammable

Safety Profile

Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat and open flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

Potential Exposure

2,3-Dimethylbutane is used in highoctane fuel and to make organic chemicals.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and i

Source

Comprised 1.6 to 2.6 vol % of total evaporated hydrocarbons from gasoline tank (quoted, Verschueren, 1983). Schauer et al. (1999) reported 2,3-dimethylbutane in a diesel-powered medium-duty truck exhaust at an emission rate of 570 μg/km.
California Phase II reformulated gasoline contained 2,3-dimethylbutane at a concentration of 12.9 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.14 and 298 mg/km, respectively (Schauer et al., 2002).

Environmental Fate

Photolytic. Major products reported from the photooxidation of 2,3-dimethylbutane with nitrogen oxides are carbon monoxide and acetone. Minor products included formaldehyde, acetaldehyde and peroxyacyl nitrates (Altshuller, 1983). Synthetic air containing gaseous nitrous acid and exposed to artificial sunlight (λ = 300–450 nm) photooxidized 2,3-dimethylbutane into acetone, hexyl nitrate, peroxyacetal nitrate, and a nitro aromatic compound tentatively identified as a propyl nitrate (Cox et al., 1980).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. 2,3- Dimethylbutane will not hydrolyze because it has no hydrolyzable functional group.

storage

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with 2,3-dimethylbutane you should betrained on its proper handling and storage. Before enteringconfined space where this chemical may be present, checkto make sure that an explosive concentration does not exist.2,3-Dimethylbutane must be stored to avoid contact withoxidizers (such as perchlorates, peroxides, permanganates,chlorates, and nitrates), since violent reactions occur.Sources of ignition, such as smoking and open flames, areprohibited where 2,3-dimethylbutane is handled, used, orstored. Metal containers involving the transfer of 5 gallonsor more of 2,3-dimethylbutane should be grounded andbonded. Drums must be equipped with self-closing valves,pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening andclosing containers of 2,3-dimethylbutane. Wherever 2,3-dimethylbutane is used, handled, manufactured, or

Shipping

This compound requires a shipping label of“FLAMMABLE LIQUID.” It falls in Hazard Class 3 andPacking Group II.

Purification Methods

Distil it from sodium, pass it through a column of silica gel (activated by heating in nitrogen to 350o before use) to remove unsaturated impurities, and again distil it from sodium. Also distil it azeotropically with MeOH, then wash with water, dry (Na2SO4) it, and redistil it. [Beilstein 1 IV 371.]

Incompatibilities

Forms explosive mixture with air.Violent reaction with oxygen, strong oxidizers.

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