2,3,4-TRIMETHYLPENTANE Property

Melting point:

-110 °C (lit.)

Boiling point:

113-114 °C (lit.)

Density 

0.719 g/mL at 25 °C (lit.)

vapor pressure 

27.0 at 25 °C (Wilhoit and Zwolinski, 1971)

refractive index 

n20/D 1.404(lit.)

Flash point:

5°C

solubility 

Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986); miscible with many aliphatic hydrocarbons

pka

>14 (Schwarzenbach et al., 1993)

form 

clear liquid

color 

Colorless to Almost colorless

Water Solubility 

(mg/kg):
1.36 at 25 °C (shake flask-GLC, Price, 1976)
2.34 at 0 °C, 2.30 at 25 °C (shake flask-GC, Polak and Lu, 1973)

BRN 

1696869

Henry's Law Constant

1.89 at 25 °C (Mackay and Shiu, 1981)

Exposure limits

ACGIH TLV: TWA for all isomers 300 ppm (adopted).

CAS DataBase Reference

565-75-3(CAS DataBase Reference)

EPA Substance Registry System

2,3,4-Trimethylpentane (565-75-3)

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 3295 3/PG 2

WGK Germany 

3

RTECS 

SA3321500

TSCA 

Yes

HS Code 

2901.10.5000

HazardClass 

3

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.

2,3,4-TRIMETHYLPENTANE Chemical Properties,Usage,Production

Chemical Properties

Clear, colorless, flammable, watery liquid with a mild aliphatic hydrocarbon odor resembling hexane.

Uses

2,3,4-Trimethylpentane (2,3,4- tmp) is an isomeric compound of octane with an EC50 of 16.3 mM for 2,3,4- tmp.It can be used for its infrared spectroscopic studies and for biological activity studies such as the urinary metabolites of the potent nephrotoxic hydrocarbons 2,3,4- tmp in Fischer-344 male rats by gavage. Study. In addition, exposure of rat renal proximal tubules to 2,3,4-tmp resulted in structural changes that caused increased mitochondrial swelling, increased vesiculation, decreased microvilli and nuclear shrinkage^[1-3].

Definition

ChEBI: 2,3,4-trimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has a role as a mammalian metabolite and a nephrotoxic agent. It is an alkane and a volatile organic compound.

General Description

Kinetics and mechanism of reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO has been investigated. Kinetics of reactions of C₆H₅ radical with 2,3,4-trimethylpentane has been measured by cavity ringdown spectrometry.

Source

Schauer et al. (1999) reported 2,3,4-trimethylpentane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 2,3,4-trimethylpentane at a concentration of 13.0 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.51 and 412 mg/km, respectively (Schauer et al., 2002).

Environmental Fate

Photolytic. Atkinson (1990) reported a rate constant of 7.0 x 10^-12 cm³/molecule?sec for the reaction of 2,3,4-trimethylpentane and OH radicals in the atmosphere at 298 K. Based on this reaction rate constant, the estimated lifetime is 20 h (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor.
2,3,4-Trimethylpentane will not hydrolyze because it does not contain a hydrolyzable functional group.

References

[1] G.A. CROWDER; Lorelei G. Vibrational analysis of 2,3,4-trimethylpentane and 2,3,4-trimethylhexane[J]. Journal of Molecular Structure, 1984. DOI:10.1016/0022-2860(84)85188-1.
[2] CARL T. OLSON . The metabolism of 2,3,4-trimethylpentane in male fischer-344 rats[J]. Toxicology letters, 1987. DOI:10.1016/0378-4274(87)90132-9.
[3] N.J. DELRASO; C. S G; D R Mattie. Lack of detectable metabolism for solubilized 2,3,4-trimethylpentane by rat kidney proximal tubules[J]. Toxicology letters, 1990. DOI:10.1016/0378-4274(90)90201-V.