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650552

Sigma-Aldrich

Hexane

HPLC Plus, for HPLC, GC, and residue analysis, ≥95%

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Synonym(s):
n-Hexane
Linear Formula:
CH3(CH2)4CH3
CAS Number:
110-54-3
Molecular Weight:
86.18
Beilstein:
1730733
EC Number:
203-777-6
MDL number:
MFCD00009520
PubChem Substance ID:
329760028
NACRES:
NA.06

grade

HPLC Plus
for residue analysis

Quality Level

100

Agency

suitable for EPA 1613
suitable for EPA ACB B21-02
suitable for EPA ACB B23-05b
suitable for EPA OTM-45

vapor density

~3 (vs air)

vapor pressure

256 mmHg ( 37.7 °C)
5.2 psi ( 37.7 °C)
~132 mmHg ( 20 °C)

Assay

≥95%

form

liquid

autoignition temp.

453 °F

expl. lim.

7.7 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤ 1.0 ppb Fluorescence (quinine) at 365 nm
<0.01% water

evapn. residue

<0.0001%

halogenated residue

<10 ng/L (as heptachlor epoxide)

refractive index

n20/D 1.375 (lit.)

pH

7

bp

69 °C (lit.)

mp

−95 °C (lit.)

solubility

ethanol: soluble(lit.)

density

0.659 g/mL at 25 °C (lit.)

UV absorption

λ: 195 nm Amax: 1.00
λ: 200 nm Amax: 0.50
λ: 210 nm Amax: 0.20
λ: 220 nm Amax: 0.05
λ: 250 nm Amax: 0.01
λ: 280-400 nm Amax: 0.005

application(s)

food and beverages

SMILES string

CCCCCC

InChI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChI key

VLKZOEOYAKHREP-UHFFFAOYSA-N

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General description

Hexane (n-hexane) is an alkane, that can be obtained from petroleum by distillation. It can also be produced by electrolyzing the potassium butyrate solution. It is widely employed organic solvent for the dissolution and isolation of fats and oils. Its thermodynamic properties and kinetics of thermal decomposition have been studied over a range of temperature. A study on the zeolite supported platinum catalyzed isomerization and aromatization of n-hexane has been reported. Its removal from hexane contaminated air streams using vapor phase biological reactor (VPBR) immobilized with hexane-degrading Aspergillus niger strain has been studied. The metabolism of n-hexane forms 2,5-hexanedione (2,5-HD), which is reported to induce neurotoxicity.

Application

Hexane may be used in the following studies:
  • Preparation of graft-copolymer chains of poly-(dimethylsiloxane)-g-poly(methyl methacrylate).
  • GC/MS characterization of essential oils isolated from various origins.
  • As solvent for the preparation of samples and standards during chromatographic studies.
  • To extract free and total gossypol in combination with acetone from cottonseed flakes.
Suitable for HPLC, spectrophotometry, environmental testing

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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, Nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-7.6 °F

Flash Point(C)

-22 °C

Regulatory Information

危险化学品

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VOCs removal from waste gases: gas-phase bioreactor for the abatement of hexane by Aspergillus niger.
Spigno G, et al.
Chemical Engineering Science, 58(3), 739-746 (2003)
Thermodynamic properties of n-hexane.
Grigoryev BA, et al.
International Journal of Thermophysics, 9(3), 439-452 (1988)
The thermal decomposition of n-hexane.
Ebert KH, et al.
International Journal of Chemical Kinetics, 15(5), 475-502 (1983)
Reforming of hexane with Pt/zeolite catalysts.
Dai LX, et al.
Catalysis Letters, 45(1-2), 107-112 (1997)
Cottonseed extraction with mixtures of acetone and hexane.
Kuk MS, et al.
Journal of the American Oil Chemists' Society, 82(8), 609-612 (2005)
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