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Merck
CN

439177

Supelco

Hexane

≥95%, suitable for HPLC

Synonym(s):

n-Hexane

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About This Item

Linear Formula:
CH3(CH2)4CH3
CAS Number:
110-54-3
Molecular Weight:
86.18
Beilstein:
1730733
EC Number:
203-777-6
MDL number:
MFCD00009520
UNSPSC Code:
12190000
PubChem Substance ID:
329756424
Grade:
HPLC grade
Assay:
≥95%
Technique(s):
HPLC: suitable
Application(s):
food and beverages
Bp:
69 °C (lit.)
Vapor pressure:
256 mmHg ( 37.7 °C)
5.2 psi ( 37.7 °C)
~132 mmHg ( 20 °C)

Key Documents

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Product Name

Hexane, suitable for HPLC, ≥95%

grade

HPLC grade

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

impurities

<0.020% water

evapn. residue

<0.0005%

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.)

λ

H2O reference

UV absorption

λ: 195 nm Amax: 1.00
λ: 210 nm Amax: 0.30
λ: 220 nm Amax: 0.10
λ: 230 nm Amax: 0.05
λ: 240 nm Amax: 0.02
λ: 250-400 nm Amax: 0.01

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 hydrocarbon 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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

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

Nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-7.6 °F

Flash Point(C)

-22 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBH7397
SHBG1320V
SHBG3131V
MKBZ1323V
MKBX0468V

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Cottonseed extraction with mixtures of acetone and hexane.
Kuk MS, et al.
Journal of the American Oil Chemists' Society, 82(8), 609-612 (2005)
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)
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)
Reforming of hexane with Pt/zeolite catalysts.
Dai LX, et al.
Catalysis Letters, 45(1-2), 107-112 (1997)
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