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360597

Sigma-Aldrich

2,2,4-Trimethylpentane

ACS reagent, ≥99.0%

Synonym(s):

Isooctane

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About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
540-84-1
Molecular Weight:
114.23
Beilstein/REAXYS Number:
1696876
EC Number:
208-759-1
MDL number:
MFCD00008943
UNSPSC Code:
12191502
PubChem Substance ID:
329755268
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99.0%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

impurities

≤0.0003 meq/g Water-soluble titr. acid
≤0.005% S compounds

evapn. residue

≤0.001%

color

APHA: ≤10

refractive index

n20/D 1.391 (lit.)

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

solubility

water: insoluble

density

0.692 g/mL at 25 °C (lit.)

SMILES string

CC(C)CC(C)(C)C

InChI

1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

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General description

2,2,4-Trimethylpentane (TMP, isooctane), a volatile organic solvent is used to improve the octane rating of combustion fuels. TMP is a primary reference fuel with an arbitrary octane number of 100 as it burns smoothly without resulting in any knocking. It also a component of gasoline. The physical characteristics of the binary mixtures of n-heptane and 2,2,4-trimethylpentane has been studied that helps in understanding the combustion process of mixtures of primary reference fuels.

Application

2,2,4-Trimethylpentane (TMP, isooctane) may be used in the following studies:
  • Synthesis of polyethyleneimine /silica hybrid nanoparticles.
  • Amino acid quantification process.
  • To dissolve di(2-ethylhexyl) phosphoric acid(DEHPA) to form a solution that is used in the extraction and back extraction of methylene blue.

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Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

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Paul Hellier et al.
Frontiers in bioengineering and biotechnology, 3, 49-49 (2015-05-06)
The metabolic engineering of photosynthetic microbes for production of novel hydrocarbons presents an opportunity for development of advanced designer biofuels. These can be significantly more sustainable, throughout the production-to-consumption lifecycle, than the fossil fuels and crop-based biofuels they might replace.
Sulforhodamine B-Loaded Polyethyleneimine/Silica Hybrid Nanoparticles.
Blumling III and Silva GA.
American Journal of Neuroprotection and Neuroregeneration, 6.1, 73-77 (2014)
Reversed Micellar Extraction of Methylene Blue by using Di (2-ethylhexyl) Phosphoric Acid.
Kinugasa T, et al.
Solvent Extraction Research and Development, Japan, 22(2), 169-176 (2015)
Density, Viscosity, Speed of Sound, Bulk Modulus, and Surface Tension of Binary Mixtures of n-Heptane+ 2,2,4-Trimethylpentane at (293.15 to 338.15) K and 0.1 MPa.
Prak DJL, et al.
Journal of Chemical and Engineering Data, 59(11), 3842-3851 (2014)
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