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650552 Sigma-Aldrich

Hexane

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

Synonym: n-Hexane

  • CAS Number 110-54-3

  • Linear Formula CH3(CH2)4CH3

  • Molecular Weight 86.18

  •  Beilstein/REAXYS Number 1730733

  •  EC Number 203-777-6

  •  MDL number MFCD00009520

  •  PubChem Substance ID 329760028

  •  NACRES NA.06

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Properties

Related Categories Amber Glass Bottles, Analytical Reagents, Analytical/Chromatography, Chromatography Reagents & Solvents, HPLC Plus,
Quality Level   100
grade   HPLC Plus
  for GC
  for HPLC
  for residue analysis
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 %
application(s)   HPLC: 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
Featured Industry   Food and Beverages
SMILES string   CCCCCC
InChI   1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI key   VLKZOEOYAKHREP-UHFFFAOYSA-N

Description

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

Packaging

1, 6×1, 4, 4×4 L in glass bottle

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Safety & Documentation

Safety Information

Signal word 
Danger
Target organs 
Central nervous system, Nervous system
RIDADR 
UN1208 - class 3 - PG 2 - Hexanes
WGK Germany 
WGK 2
RTECS 
MN9275000
Flash Point(F) 
-7.6 °F
Flash Point(C) 
-22 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Peer-Reviewed Papers
15

References

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