592579

Sigma-Aldrich

Heptane

greener alternative

suitable for HPLC, ≥96%

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

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

Looking for similar products? Visit Product Comparison Guide

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

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.

Packaging

1, 4, 4×4 L in glass bottle

Features and Benefits

Greener alternative for hexane

Recommended products

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

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...
High pressure pyrolysis of n-heptane.
Chakraborty JP and Kunzru D.
Journal of Analytical and Applied Pyrolysis, 86(1), 44-52 (2009)
Hydroisomerization of n-heptane over MoP/Hβ catalyst doped with metal additive.
Liu P, et al.
Fuel Processing Technology, 131, 311-316 (2015)
Related Content
Why should you have to choose between solvents that are ecological and those that are reliable? Enjoy both at once with our biorenewable and greener solutions. Cyrene™ solvent is a new dipolar aprotic alternative to common REACH restricted solvents, such as N methyl-2-pyrrolidone (NMP) and Dimethylformamide (DMF).
Read More

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

Contact Technical Service