32287

Sigma-Aldrich

Heptane

greener alternative

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

Linear Formula:
CH3(CH2)5CH3
CAS Number:
Molecular Weight:
100.20
Beilstein/REAXYS Number:
1730763
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.06

Quality Level

Agency/Method

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.

application(s)

microbiology: 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

bp

98 °C (lit.)

mp

−91 °C (lit.)

density

0.684 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

suitability

passes test for reaction against H2SO4

greener alternative category

Aligned

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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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 and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.
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.

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.

Features and Benefits

Greener alternative for hexane

Other Notes

The article number 32287-4X2.5L will be discontinued. Please order the single bottle 32287-2.5L which is physically identical with the same exact specifications.
The article number 32287-4X2.5L-M will be discontinued. Please order the single bottle 32287-2.5L-M which is physically identical with the same exact specifications.
The article number 32287-6X1L will be discontinued. Please order the single bottle 32287-1L which is physically identical with the same exact specifications.
The article number 32287-6X1L-M will be discontinued. Please order the single bottle 32287-1L-M which is physically identical with the same exact specifications.
Pertains only in Germany: unversteuert

Signal Word

Danger

hazcat

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 Germany

WGK 2

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Certificate of Analysis

Certificate of Origin

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...
Study of the growth of ZnS nanoparticles in water/AOT/n-heptane microemulsions by UV-absorption spectroscopy.
Calandra P, et al.
Colloids and Surfaces. A, Physicochemical and Engineering Aspects, 160(1), 9-13 (1999)
Solubility of Long-Chain n-Alkanes in Heptane between 280 and 350 K.
Roberts KL, et al.
Journal of Chemical and Engineering Data, 39(4), 793-795 (1994)
A comprehensive modeling study of n-heptane oxidation.
Curran HJ, et al.
Combustion and Flame, 114(1), 149-177 (1998)
Arun K Kota et al.
Advanced materials (Deerfield Beach, Fla.), 24(43), 5838-5843 (2012-08-30)
Hierarchically structured, superoleophobic surfaces are demonstrated that display one of the lowest contact angle hysteresis values ever reported - even with extremely low-surface-tension liquids such as n-heptane. Consequently, these surfaces allow, for the first time, even ≈2 μL n-heptane droplets...

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