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HX0080

Supelco

Heptane

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

Quality Level

vapor density

3.5 (vs air)

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 %

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.)

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.

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.

Packaging

20, 200 l in Steel barrel
500 ml in Glas bottle pre packed
4 l in Glas bottle pre packed

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 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

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