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Merck
CN

650536

Heptane

greener alternative

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

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About This Item

Linear Formula:
CH3(CH2)5CH3
CAS Number:
Molecular Weight:
100.20
UNSPSC Code:
12190000
NACRES:
NA.06
PubChem Substance ID:
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
Assay:
≥98.5% (GC), 99%
Grade:
HPLC Plus
Technique(s):
HPLC: suitable, gas chromatography (GC): suitable
Bp:
98 °C (lit.)
Vapor pressure:
40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)
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grade

HPLC Plus

Quality Level

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.

sustainability

Greener Alternative Product

technique(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, suitable for residue analysis

application(s)

food and beverages

greener alternative category

SMILES string

CCCCCCC

InChI

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

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

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.

Features and Benefits

Greener alternative for hexane

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!

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis
Pesticide Residue Analysis (as Heptachlor Epoxide) <2 μg/L
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany


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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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

24.8 °F - closed cup

flash_point_c

-4 °C - closed cup

Regulatory Information

危险化学品

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Articles

Development and validation of a fatty acid methyl esterification method, using methanolic HCl reagent, for FAME analysis by GC of vegetable oils and fats.


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



Global Trade Item Number

SKUGTIN
650536-4L04061837479632
650536-6X1L04061837479656
650536-1L04061832732503
650536-4X4L04061837479649
650536-50L-P204061837291395