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675393

Sigma-Aldrich

Hexane

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

Synonym(s):
n-Hexane
Linear Formula:
CH3(CH2)4CH3
CAS Number:
Molecular Weight:
86.18
Beilstein:
1730733
EC Number:
MDL number:
PubChem Substance ID:

grade

HPLC Plus
for residue analysis

Quality Level

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
gas chromatography (GC): suitable

impurities

≤0.01% water
water

refractive index

n20/D 1.375 (lit.)

bp

69 °C (lit.)

mp

−95 °C (lit.)

solubility

ethanol: soluble(lit.)

density

0.659 g/mL at 25 °C (lit.)

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 a volatile organic compound. It can be obtained from petroleum by distillation or by electrolyzing potassium butyrate solution. It is a 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 processes:
  • Synthesis of graft-copolymer chains of poly-(dimethylsiloxane)-g-poly(methyl methacrylate).
  • Gas chromatography/mass spectrometry (GC/MS) characterization of essential oils isolated from various origins.
  • To extract free and total gossypol in combination with acetone from cottonseed flakes.

Packaging

4, 4×4 L in PVC-coated bottle

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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 Germany

WGK 2

Flash Point(F)

-7.6 °F

Flash Point(C)

-22 °C

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Covalent binding of a neurotoxic n-hexane metabolite: conversion of primary amines to substituted pyrrole adducts by 2,5-hexanedione.
A P DeCaprio et al.
Toxicology and applied pharmacology, 65(3), 440-450 (1982-09-30)
Reforming of hexane with Pt/zeolite catalysts.
Dai LX, et al.
Catalysis Letters, 45(1-2), 107-112 (1997)
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)
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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