EMAIL THIS PAGE TO A FRIEND
650536 Sigma-Aldrich

Heptane

Green Alternative

HPLC Plus, for HPLC, GC, and residue analysis, 99%

  • 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 329760027

  •  NACRES NA.06

Purchase

Properties

Related Categories Amber Glass Bottles, Analytical Reagents, Analytical/Chromatography, Chromatography Reagents, Greener Chromatography Solvents,
Quality Level   100
grade   HPLC Plus
  for GC
  for residue analysis
vapor density   3.5 (vs air)
vapor pressure   40 mmHg ( 20 °C)
  83 mmHg ( 37.7 °C)
assay   ≥98.5% (GC)
  99%
form   liquid
autoignition temp.   433 °F
expl. lim.   7 %
greener alternative product characteristics   Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.
application(s)   HPLC: suitable
  HPLC: suitable
  HPLC: suitable
impurities   ≤0.0001% non-volatiles
  ≤0.01% water (Karl Fischer)
  ≤1.0 ppb Fluorescence (quinine) at 365 nm
halogenated residue   ≤2 μg/L (as heptachlor epoxide)
refractive index   n20/D 1.3850-1.3890
  n20/D 1.387 (lit.)
bp   98 °C (lit.)
mp   −91 °C (lit.)
solubility   acetone: miscible(lit.)
  carbon tetrachloride: soluble(lit.)
  ethanol: very soluble(lit.)
  water: insoluble(lit.)
density   0.684 g/mL at 25 °C (lit.)
λ   H2O reference
UV absorption   λ: 200 nm Amax: ≤1.0
  λ: 225 nm Amax: ≤0.10
  λ: 250 nm Amax: ≤0.01
  λ: 300-400 nm Amax: ≤0.005
suitability   corresponds for IR spectroscopy
Featured Industry   Food and Beverages
SMILES string   CCCCCCC
greener alternative category   Aligned
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 HPLC and GC and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.

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.
Spectrophotometry.
Environmental testing.

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, 6×1, 4, 4×4 L in glass bottle

50 L in Pure-Pac™ 2

Features and Benefits

Greener alternative for hexane

Other Notes

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

Pesticide Residue Analysis (as Heptachlor Epoxide) <2 μg/L

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Recommended products

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

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)

Please Enter a Lot Number

Certificate of Origin (COO)

Please Enter a Lot Number
Protocols & Articles

Articles

HPLC Analysis of Flavanone Enantiomers on Astec® CYCLOBOND® I 2000 DMP, IPA:Heptane Mobile Phase

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Flavanone Enantiomers on Astec® CYCLOBOND® I 2000 DMP, IPA:Heptane Mobile Phase
Keywords: Chromatography, High performance liquid chromatography, Vitamins

HPLC Analysis of Tebuconazole Enantiomers on Astec(R) Cellulose DMP in Normal Phase Mode

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Tebuconazole Enantiomers on Astec(R) Cellulose DMP in Normal Phase Mode
Keywords: Asymmetric synthesis, Fungicides, Metabolites, Pesticides, Separation

HPLC Analysis of Tetraconazole Enantiomers on Astec(R) Cellulose DMP in Normal Phase Mode

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Tetraconazole Enantiomers on Astec(R) Cellulose DMP in Normal Phase Mode
Keywords: Asymmetric synthesis, Fungicides, Metabolites, Pesticides, Separation

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

Related Products

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?