650536

Sigma-Aldrich

Heptane

greener alternative

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

Linear Formula:
CH3(CH2)5CH3
CAS Number:
Molecular Weight:
100.20
Beilstein/REAXYS Number:
1730763
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.06

Quality Level

grade

HPLC Plus
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
gas chromatography (GC): 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

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

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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

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.
Greener alternatives to Hexane in HPLC.
Spectrophotometry.
Environmental testing.

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

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Pesticide Residue Analysis (as Heptachlor Epoxide) <2 μg/L

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

Signal Word

Danger

hazcat

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 2

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Certificate of Analysis

Certificate of Origin

Activation of n-Heptane: A Study with VMgO Catalysts.
Dasireddy VDBC, et al.
Catalysis Letters, 144(4), 590-597 (2014)
Whole-cell double oxidation of n-heptane.
Muller CA, et al.
Journal of Biotechnology, 191, 196-204 (2014)
Madan Lal Verma et al.
Enzyme research, 2011, 919386-919386 (2011-05-24)
Selective production of fragrance fatty acid ester from isopropanol and acetic acid has been achieved using silica-immobilized lipase of Bacillus cereus MTCC 8372. A purified thermoalkalophilic extracellular lipase was immobilized by adsorption onto the silica. The effects of various parameters...
Hydroisomerization of n-heptane over MoP/Hβ catalyst doped with metal additive.
Liu P, et al.
Fuel Processing Technology, 131, 311-316 (2015)
High pressure pyrolysis of n-heptane.
Chakraborty JP and Kunzru D.
Journal of Analytical and Applied Pyrolysis, 86(1), 44-52 (2009)
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