2,3,4-TRIMETHYLPENTANE

CAS NO.：565-75-3
Empirical Formula: C8H18
Molecular Weight: 114.23
MDL number: MFCD00008924
EINECS: 209-292-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-12-18 14:08:57

What is 2,3,4-TRIMETHYLPENTANE?

Chemical properties

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

The Uses of 2,3,4-TRIMETHYLPENTANE

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.

Properties of 2,3,4-TRIMETHYLPENTANE

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
form	clear liquid
pka	>14 (Schwarzenbach et al., 1993)
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 information for 2,3,4-TRIMETHYLPENTANE

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09
GHS Hazard Statements	H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.