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32287-M

Sigma-Aldrich

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
Beilstein:
1730763
EC Number:
205-563-8
MDL number:
MFCD00009544
UNSPSC Code:
12352001
PubChem Substance ID:
329754124
NACRES:
NA.21

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.

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: ≤0.50 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

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 (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

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

Flash Point(F)

closed cup

Flash Point(C)

closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
STBL0832
STBK8263
STBK9470
STBK8262
STBK9174

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