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Merck

592579

Heptano

greener alternative

suitable for HPLC, ≥96%

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About This Item

Fórmula lineal:
CH3(CH2)5CH3
Número CAS:
Peso molecular:
100.20
UNSPSC Code:
12190000
NACRES:
NA.06
PubChem Substance ID:
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
grade:
HPLC grade
assay:
≥96%
technique(s):
HPLC: suitable
application(s):
food and beverages
bp:
98 °C (lit.)
98 °C
vapor pressure:
40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

Nombre del producto

Heptano, suitable for HPLC, ≥96%

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

SMILES string

CCCCCCC

grade

HPLC grade

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.

sustainability

Greener Alternative Product

technique(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

application(s)

food and beverages

greener alternative category

Quality Level

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Categorías relacionadas

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.

Features and Benefits

Greener alternative for hexane

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).

Packaging

M-Bottle for Solvents
As a global leader in lab reagents, we are constantly looking for new ways to optimize the safety of our products. The newly developed 4L solvent bottle design features advanced sealing technology that eliminates leaks to make the handling of solvents safer and more convenient than ever before.
See all the new features here!

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 2

flash_point_f

24.8 °F - closed cup

flash_point_c

-4 °C - closed cup


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Visite la Librería de documentos

Whole-cell double oxidation of n-heptane.
Muller CA, et al.
Journal of Biotechnology, 191, 196-204 (2014)
Activation of n-Heptane: A Study with VMgO Catalysts.
Dasireddy VDBC, et al.
Catalysis Letters, 144(4), 590-597 (2014)
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)
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

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