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1.04365

Supelco

n-Heptane

greener alternative

EMPLURA®

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Synonym(s):
Heptane
Linear Formula:
CH3(CH2)5CH3
CAS Number:
Molecular Weight:
100.20
Beilstein/REAXYS Number:
1730763
MDL number:
EC Index Number:
205-563-8

vapor density

3.5 (vs air)

Quality Level

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

product line

EMPLURA®

assay

≥99% (GC)

form

liquid

autoignition temp.

433 °F

potency

>5000 mg/kg LD50, oral (Rat)
>2000 mg/kg LD50, skin (Rabbit)

expl. lim.

7 %

greener alternative product characteristics

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

impurities

≤0.005% Free acid (as CH3COOH)

evapn. residue

≤0.0050%

refractive index

n20/D 1.387 (lit.)

bp

98 °C (lit.)

mp

−91 °C (lit.)

transition temp

flash point -4 °C

solubility

0.05 g/L

density

0.684 g/mL at 25 °C (lit.)

greener alternative category

storage temp.

2-30°C

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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1.070531.043791.04360
n-Heptane EMPLURA®

1.04365

n-Heptane

n-Heptane for analysis EMPARTA®

1.07053

n-Heptane

n-Heptane for analysis EMSURE® Reag. Ph Eur

1.04379

n-Heptane

n-Heptane for gas chromatography ECD and FID SupraSolv®

1.04360

n-Heptane

assay

≥99% (GC)

assay

-

assay

≥99% (GC)

assay

≥99.5% (GC)

solubility

0.05 g/L

solubility

-

solubility

-

solubility

-

form

liquid

form

-

form

liquid

form

liquid

refractive index

n20/D 1.387 (lit.)

refractive index

n20/D 1.387 (lit.)

refractive index

n20/D 1.387 (lit.)

refractive index

n20/D 1.387 (lit.)

impurities

≤0.005% Free acid (as CH3COOH)

impurities

-

impurities

≤0.0005% Free acid (as CH3COOH), ≤0.005% Sulfur compounds (as S), ≤0.01% Water, ≤0.1% Aromatic hydrocarbons (as C6H6)

impurities

-

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 compared to hexane and thus align with "Safer Solvents and Auxiliaries". Click here for more information.

Application

Heptane can be used as a solvent in the chromatographic purification of chemical intermediates. It can also be used as an extraction solvent for the extraction of aromatic sulfur compounds in the presence of ionic liquids. Heptane is used as an alternative solvent for hexane for the extraction of oil from cottonseed because it does not have environmental concerns as hexane.

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Free acid (as CH₃COOH): ≤ 0.005 %
Density (d 20 °C/ 4 °C): 0.683 - 0.684
Matter discolored by H₂SO₄: ≤ 10 Hazen
Evaporation residue: ≤ 0.0050 %

Legal Information

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

24.8 °F

flash_point_c

-4 °C


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Heptane Meets Reagent Specifications for testing USP/NF monographs OmniSolv®

Supelco

HX0078

Heptane

Heptane HPLC grade, ≥99%

Supelco

270512

Heptane

n-Hexane EMPLURA®

Supelco

1.04368

n-Hexane

Heptane suitable for HPLC, ≥96%

Sigma-Aldrich

592579

Heptane

Hexane and heptane as extraction solvents for cottonseed: a laboratory-scale study
Conkerton EJ, et al.
Journal of the American Oil Chemists' Society, 72(8), 963-965 (1995)
Acetone-heptane as a solvent system for combining chromatography on silica gel with solvent recycling
Drueckhammer DG, et al.
ACS sustainable chemistry & engineering, 1(1), 87-90 (2013)
Solvent extraction of aromatic sulfur compounds from n-heptane using the 1-ethyl-3-methylimidazolium tricyanomethanide ionic liquid
Krolikowski M, et al.
The Journal of Chemical Thermodynamics, 65, 168-173 (2013)

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