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Merck
CN

6.04717

Isooctane

suitable for chromatography

Synonym(s):

2,2,4-Trimethylpentane, Isooctane

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About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
Molecular Weight:
114.23
UNSPSC Code:
12352001
Beilstein/REAXYS Number:
1696876
MDL number:
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InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

SMILES string

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

InChI

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

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

autoignition temp.

745 °F

expl. lim.

6 %

Quality Level

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

suitability

suitable for chromatography

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General description

Isooctaneis a volatile organic solvent used in chromatography, often as an exchange solventfor analyzing multiclass pesticide residues together with hexane and toluene.

Application

Isooctane can be used as:
  • A solvent in the liquid chromatograph-massspectrometer-computer analytical system for the separation of several polynuclear hydrocarbons.
  • One of the eluent solvents in the normal-phase analysis of lipids.

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

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

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Evaluation of common organic solvents for gas chromatographic analysis and stability of multiclass pesticide residues
Mastovska K and Lehotay SJ
Journal of Chromatography A, 1040(2), 259-272 (2004)
Atmospheric pressure ionization mass spectrometry. Corona discharge ion source for use in a liquid chromatograph-mass spectrometer-computer analytical system
Carroll DI, et al.
Analytical Chemistry, 47(14), 2369-2373 (1975)

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