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592579 Sigma-Aldrich

Heptane

Green Alternative

for HPLC, ≥96%

  • CAS Number 142-82-5

  • Linear Formula CH3(CH2)5CH3

  • Molecular Weight 100.20

  •  Beilstein/REAXYS Number 1730763

  •  EC Number 205-563-8

  •  MDL number MFCD00009544

  •  PubChem Substance ID 329758614

  •  NACRES NA.06

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Properties

Related Categories Amber Glass Bottles, Analytical Reagents, Analytical/Chromatography, Chromatography Reagents & Solvents, Greener Chromatography Solvents,
Quality Level   100
grade   for HPLC
vapor density   3.5 (vs air)
vapor pressure   40 mmHg ( 20 °C)
  83 mmHg ( 37.7 °C)
assay   ≥96%
form   liquid
autoignition temp.   433 °F
composition   n-heptane, 96%
expl. lim.   7 %
greener alternative product characteristics   Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.
application(s)   HPLC: suitable
impurities   <0.02% water
evapn. residue   <0.0003%
color   APHA: ≤10
refractive index   n20/D 1.387 (lit.)
bp   98 °C (lit.)
  98 °C
mp   −91 °C (lit.)
solubility   acetone: miscible(lit.)
  carbon tetrachloride: soluble(lit.)
  ethanol: very soluble(lit.)
  ethyl acetate: miscible(lit.)
  water: insoluble(lit.)
density   0.684 g/mL at 25 °C (lit.)
λmax   400 nm (2nd)
  0.01 at 254 nm
absorption   0.10 at 225 nm
  0.40 at 210 nm
  1.0 at 197 nm
Featured Industry   Food and Beverages
greener alternative category   Aligned
SMILES string   CCCCCCC
InChI   1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI key   IMNFDUFMRHMDMM-UHFFFAOYSA-N

Description

General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Heptane is an environmentally preferable solvent and greener alternative to hexane for chromatographic purification and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.
Tools and techniques for solvent selection: green solvent selection guides.

Heptane (n-Heptane) is a primary reference fuel (PRF) for the rating of octane numbers of fuels in internal combustion engines. Its cetane number has been reported to be 56. Mechanism and kinetic studies of its oxidation in flow reactors, shock tubes and rapid compression machines have been proposed. Its thermal decomposition has been studied under different conditions of temperature and pressure. Its oxidative dehydrogenation in the presence of magnesium oxide supported vanadium catalyst has been investigated. Molybdenum phosphide supported on Hβ zeolite (MoP/Hβ) catalyzed hydroisomerization of n-heptane has been reported to be enhanced by doping with secondary metals (Cr, Ni or Ce).

Application

Greener alternatives to Hexane in HPLC.

Heptane (n-heptane) may be used:
• To compose the solvent mixtures for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC (Thin Layer Chromatography).
• To generate chiral alcohols and heptanones, via whole cell double oxidation.
• As a solvent in the synthesis of isopropyl acetate, via esterification of acetic acid with isopropyl alcohol catalyzed by lipase immobilized on silica.

Packaging

1, 4, 4×4 L in glass bottle

Features and Benefits

Greener alternative for hexane

Other Notes

What is a green solvent? A comprehensive framework for the environmental assessment of solvents

Recommended products

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Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1206 - class 3 - PG 2 - Heptanes
WGK Germany 
WGK 2
RTECS 
MI7700000
Flash Point(F) 
24.8 °F
Flash Point(C) 
-4 °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...

Peer-Reviewed Papers
15

References

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