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2,2,4-Trimethylpentane

analytical standard

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Synonym(s):
Isooctane
Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
Molecular Weight:
114.23
Beilstein/REAXYS Number:
1696876
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99.7% (GC)

autoignition temp.

745 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.391 (lit.)
n20/D 1.391

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

application(s)

petroleum

format

neat

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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Related Categories

General description

2,2,4-Trimethylpentane, a branched alkane, having a low tendency to auto-ignite, is used as a reference in determining the octane number of gasoline.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

signalword

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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25G
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Sigma-Aldrich

32291

2,2,4-Trimethylpentane

The
Invitation to Organic Chemistry. (1999)
Nibedita Pal et al.
Analytical chemistry, 83(20), 7736-7744 (2011-09-09)
Fluorescence correlation spectroscopy (FCS) is an ideal tool for measuring molecular diffusion and size under extremely dilute conditions. However, the power of FCS has not been utilized to its best to measure diffusion and size parameters of complex chemical systems.
Emily E Fenn et al.
The Journal of chemical physics, 134(5), 054512-054512 (2011-02-10)
Water dynamics as reflected by the spectral diffusion of the water hydroxyl stretch were measured in w(0) = 2 (1.7 nm diameter) Aerosol-OT (AOT)/water reverse micelles in carbon tetrachloride and in isooctane solvents using ultrafast 2D IR vibrational echo spectroscopy.
Petter Olsson et al.
Lipids, 47(1), 93-99 (2011-11-22)
A new method for the separation and identification of lipid classes by normal-phase HPLC on a cyanopropyl column is described. The use of a simple binary gradient, with toluene as a component, provided a rapid separation of non-polar as well
Xin Jin et al.
Enzyme and microbial technology, 48(6-7), 454-457 (2011-11-25)
The influence of reaction media on the racemic temperature (T(r)) in the lipase-catalyzed resolution of ketoprofen vinyl ester was investigated. An effective approach to the control of the enzymatic enantioselectivity and the prediction of the increasing tendency was developed based

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