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Heptane

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Synonym(s):
n-Heptane, Heptane
Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
Beilstein:
1730763
MDL number:
MFCD00009544
UNSPSC Code:
12191502
EC Index Number:
205-563-8

vapor density

3.5 (vs air)

Quality Level

200

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

Assay

≥99% n-heptane basis
≥99.9% (saturated C7 hydrocarbons)

form

liquid

autoignition temp.

433 °F

expl. lim.

7 %

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impurities

≤0.01% Water (H2O)

evapn. residue

≤5 ppm

color

APHA: ≤10

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

, Aligned

shipped in

ambient

storage temp.

room temp

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

Heptane is a saturated, neutral aliphatic hydrocarbon derived from crude oil. It is commonly used as a laboratory solvent in organic synthesis due to its low reactivity with other molecules.
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 in the following process:
  • As a solvent for the extraction of aromatic sulfur compounds.
  • A mixture of heptane/acetone solvent system used in the chromatographic purification of organic compounds.
  • Heptane/ionic liquid two-phase solvent system used to synthesize isoamyl acetate via esterification reaction using lipase as a catalyst.
  • As a weakly polar diluent to prepare mobile phase for thin-layer chromatography (TLC).
  • In the synthesis of SBA-15, heptane can be used as a pore swelling agent in combination with NH4F to control the particle morphology and pore size of SBA-15.

Analysis Note

Assay (n-heptane): 99.0% min
Assay (saturated C7 hydrocarbons): 99.9% min
Color (APHA): 10 max
Evaporation residue: 5ppm max
Form: Clear liquid
Infrared Spectrum: Conforms to standard
Water (H2O): 0.01% max

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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

WGK

WGK 2

Regulatory Information

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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)
Heptane
Encyclopedia of Toxicology (2014)
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)
The effects on pore size and particle morphology of heptane additions to the synthesis of mesoporous silica SBA-15
Johansson EM, et al.
Microporous and Mesoporous Materials : The Official Journal of the International Zeolite Association, 133(1-3), 66-74 (2010)
Andrej Pohar et al.
Lab on a chip, 9(23), 3385-3390 (2009-11-12)
A continuously operated psi-shaped microreactor was used for lipase-catalyzed synthesis of isoamyl acetate in the 1-butyl-3-methylpyridinium dicyanamide/n-heptane two-phase system. The chosen solvent system with dissolved Candida antarctica lipase B, which was attached to the ionic liquid/n-heptane interfacial area due to

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