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Merck
CN

32287-M

Heptane

greener alternative

puriss. p.a., reag. Ph. Eur., ≥99% n-heptane basis (GC)

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About This Item

Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
329754124
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
MFCD00009544
Assay:
≥99% n-heptane basis (GC)
Technique(s):
GC/GC: suitable
Vapor pressure:
40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)

Key Documents

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InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCC

agency

USP/NF, reag. Ph. Eur.

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)

grade

puriss. p.a.

assay

≥99% n-heptane basis (GC)

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.

technique(s)

GC/GC: suitable

impurities

≤0.0005% free acid (as CH3COOH), ≤0.001% non-volatile matter, ≤0.005% S-compounds (as S), ≤0.01% water (Karl Fischer)

refractive index

n20/D 1.387 (lit.), n20/D 1.3870-1.3880

mp

−91 °C (lit.)

density

0.684 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.50 ppm, B: ≤0.02 ppm, Ba: ≤0.10 ppm, Ca: ≤0.50 ppm, Cd: ≤0.05 ppm, Co: ≤0.02 ppm, Cr: ≤0.02 ppm, Cu: ≤0.02 ppm, Fe: ≤0.10 ppm, Mg: ≤0.10 ppm, Mn: ≤0.02 ppm, Ni: ≤0.02 ppm, Pb: ≤0.1 ppm, Sn: ≤0.10 ppm, Zn: ≤0.10 ppm

suitability

passes test for reaction against H2SO4

greener alternative category

Aligned

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General description

Heptane (n-Heptane) is a linear hydrocarbon. 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.
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 and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information. Heptane is a linear hydrocarbon that is considered as a greener alternative to the more toxic hexane.

Application

Greener alternatives to Hexane.
Heptane may be used in the following studies:
  • To compose the water/sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/n-heptane microemulsions, employed for the synthesis of ZnS nanoparticles.
  • As a solvent for various solid n-paraffins.
  • Sterol quantification method (SQM) for the determination of total intracellular ergosterol in Aspergillus fumigatus extracts.

Other Notes

Pertains only in Germany: unversteuert

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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

24.8 °F - closed cup

flash_point_c

-4.00 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6795
SDBB4208
SDBB3777
SDBB2786
SDBB1650

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Márcia Eliana da Silva Ferreira et al.
Antimicrobial agents and chemotherapy, 48(11), 4405-4413 (2004-10-27)
We investigated the evolution of resistance to the antifungal drug itraconazole in replicate populations of Aspergillus fumigatus that were founded from a strain with a genotype of sensitivity to a single drug and then propagated under uniform conditions. For each

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