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32287

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:
Molecular Weight:
100.20
Beilstein:
1730763
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.06

Agency

USP/NF
reag. Ph. Eur.

Quality Level

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: ≤0.5 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

application(s)

microbiology

SMILES string

CCCCCCC

greener alternative category

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

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

32287-1L:4.548173357935E12
32287-2.5L:4.548173371245E12


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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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