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178918

Sigma-Aldrich

Hexane, mixture of isomers

ACS reagent, ≥98.5%

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Synonym(s):
Hexanes, Isohexane
Empirical Formula (Hill Notation):
C6H14
CAS Number:
107-83-5
Molecular Weight:
86.18
Beilstein:
1730733
MDL number:
MFCD02179311
PubChem Substance ID:
24850778
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

3 (vs air)

description

Mixture of hexane isomers plus methylcyclopentane

Assay

≥98.5%

form

liquid

autoignition temp.

437 °F

expl. lim.

7.5 %

impurities

thiophene, passes test
≤0.0003 meq/g water-soluble titr. acid
≤0.005% S compounds

evapn. residue

≤0.0010%

color

APHA: ≤10

refractive index

n20/D 1.379 (lit.)

bp

68-70 °C (lit.)

mp

−95 °C (lit.)

density

0.672 g/mL at 25 °C (lit.)

InChI

1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

InChI key

AFABGHUZZDYHJO-UHFFFAOYSA-N

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General description

The product is a mixture of hexane isomers and methylcyclopentane. Hexane (mixture of isomers) can be isolated from petroleum by distillation or by cracking. They form major constituents of petroleum ether. It is a non-renewable organic solvent mainly used for the dissolution and extraction of oils and fats. Separation of the isomeric forms of hexane on the basis of degree of branching using Fe2(BDP)3 (BDP2- = 1,4-benzenedipyrazolate) has been reported.

Application

Hexane (n-hexane) has been used in the preparation of precursor required for the synthesis of chiral stationary phase (IMPCSP). IMPCSP was employed for the enantioseparation of racemic drugs by high-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC). It may be used as a carrier phase for microfluidic devices.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-9.4 °F

Flash Point(C)

-23 °C

Regulatory Information

危险化学品

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Copolymerization preparation of cationic cyclodextrin chiral stationary phases for drug enantioseparation in chromatography.
Wang RQ, et al.
Scientific Protocols null
Alternative bio-based solvents for extraction of fat and oils: solubility prediction, global yield, extraction kinetics, chemical composition and cost of manufacturing.
Sicaire A-G, et al.
International Journal of Molecular Sciences, 16(4), 8430-8453 (2015)
Solving the Clogging Problem: Precipitate-Forming Reactions in Flow.
Poe SL, et al.
Angewandte Chemie (International Edition in English), 45(10), 1544-1548 (2006)
Eagleson M.
Concise Encyclopedia Chemistry, 492-492 (1994)
Separation of hexane isomers in a metal-organic framework with triangular channels.
Herm ZR, et al.
Science, 340(6135), 960-964 (2013)
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