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1.04379

Supelco

n-Heptane

greener alternative

for analysis EMSURE® Reag. Ph Eur

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Synonym(s):
Heptane
Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
Beilstein:
1730763
MDL number:
MFCD00009544
EC Index Number:
205-563-8

Agency

reag. Ph. Eur.

Quality Level

300

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

product line

EMSURE®

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

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

evapn. residue

≤0.001%

color

APHA: ≤10

refractive index

n20/D 1.387 (lit.)

bp

98 °C (lit.)

mp

−91 °C (lit.)

transition temp

flash point -4 °C

density

0.684 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.00001%
B: ≤0.000002%
Ba: ≤0.00001%
Ca: ≤0.00005%
Cd: ≤0.000005%
Co: ≤0.000002%
Cr: ≤0.000002%
Cu: ≤0.000002%
Fe: ≤0.00001%
Mg: ≤0.00001%
Mn: ≤0.000002%
Ni: ≤0.000002%
Pb: ≤0.00001%
Sn: ≤0.00001%
Zn: ≤0.00001%

SMILES string

CCCCCCC

greener alternative category

Aligned

storage temp.

2-30°C

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

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Application

n-Heptane is used as a:
  • Solvent in the extraction of sulfur-containing hydrocarbons.
  • Substrate for the double oxidation of medium-chain alkanes.

Analysis Note

Purity (GC): ≥ 99 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Free acid (as CH₃COOH): ≤ 0.0005 %
Density (d 20 °C/20 °C): 0.683 - 0.686
Refractive index (n 20/D): 1.387 - 1.388
Boiling range (97°C-98°C): ≥ 95 % (v/v)
Aromatic hydrocarbons (as C₆H₆): ≤ 0.1 %
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
Al (Aluminium): ≤ 0.00001 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.01 %
Ph Eur-reagent

Other Notes

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.

Legal Information

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

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Regulatory Information

危险化学品

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Removal of 2-and 3-methylthiophene from their mixtures with n-heptane using tetrahexylammonium bromide-based deep eutectic solvents as extractive desulfurization agents
Ruth D A et al.
The Journal of Chemical Thermodynamics, 125, 172-179 (2018)
In Vitro Double Oxidation of n-Heptane with Direct Cofactor Regeneration
Christina A M et al.
Advanced Synthesis & Catalysis, 1787-1798, 355-355 (2013)

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