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Key Documents

592579

Sigma-Aldrich

Eptano

greener alternative

suitable for HPLC, ≥96%

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About This Item

Formula condensata:
CH3(CH2)5CH3
Numero CAS:
Peso molecolare:
100.20
Beilstein:
1730763
Numero CE:
Numero MDL:
Codice UNSPSC:
12190000
ID PubChem:
NACRES:
NA.06

Densità del vapore

3.5 (vs air)

Tensione di vapore

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

Saggio

≥96%

Forma fisica

liquid

Temp. autoaccensione

433 °F

Composizione

n-heptane, 96%

Limite di esplosione

7 %

Caratteristiche più verdi

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

tecniche

HPLC: suitable

Impurezze

<0.02% water

Residuo dopo evaporazione

<0.0003%

Colore

APHA: ≤10

Indice di rifrazione

n20/D 1.387 (lit.)

P. eboll.

98 °C (lit.)
98 °C

Punto di fusione

−91 °C (lit.)

Solubilità

acetone: miscible(lit.)
carbon tetrachloride: soluble(lit.)
ethanol: very soluble(lit.)
ethyl acetate: miscible(lit.)
water: insoluble(lit.)

Densità

0.684 g/mL at 25 °C (lit.)

λmax

400 nm (2nd)

λmax

0.01 at 254 nm

Assorbimento

0.10 at 225 nm
0.40 at 210 nm
1.0 at 197 nm

applicazioni

food and beverages

Categoria alternativa più verde

Stringa SMILE

CCCCCCC

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
IMNFDUFMRHMDMM-UHFFFAOYSA-N

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Descrizione generale

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 for chromatographic purification and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.
Tools and techniques for solvent selection: green solvent selection guides.

Heptane (n-Heptane) is a primary reference fuel (PRF) for the rating of octane numbers of fuels in internal combustion engines. 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. Its thermal decomposition has been studied under different conditions of temperature and pressure. Its oxidative dehydrogenation in the presence of magnesium oxide supported vanadium catalyst has been investigated. Molybdenum phosphide supported on Hβ zeolite (MoP/Hβ) catalyzed hydroisomerization of n-heptane has been reported to be enhanced by doping with secondary metals (Cr, Ni or Ce).

Applicazioni

Greener alternatives to Hexane in HPLC.
Heptane (n-heptane) may be used:
  • To compose the solvent mixtures for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC (Thin Layer Chromatography).
  • To generate chiral alcohols and heptanones, via whole cell double oxidation.
  • As a solvent in the synthesis of isopropyl acetate, via esterification of acetic acid with isopropyl alcohol catalyzed by lipase immobilized on silica.

Caratteristiche e vantaggi

Greener alternative for hexane

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Avvertenze

Danger

Indicazioni di pericolo

Classi di pericolo

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

Organi bersaglio

Central nervous system

Codice della classe di stoccaggio

3 - Flammable liquids

Classe di pericolosità dell'acqua (WGK)

WGK 2

Punto d’infiammabilità (°F)

24.8 °F - closed cup

Punto d’infiammabilità (°C)

-4 °C - closed cup


Certificati d'analisi (COA)

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Hydroisomerization of n-heptane over MoP/Hβ catalyst doped with metal additive.
Liu P, et al.
Fuel Processing Technology, 131, 311-316 (2015)
High pressure pyrolysis of n-heptane.
Chakraborty JP and Kunzru D.
Journal of Analytical and Applied Pyrolysis, 86(1), 44-52 (2009)
Activation of n-Heptane: A Study with VMgO Catalysts.
Dasireddy VDBC, et al.
Catalysis Letters, 144(4), 590-597 (2014)
Whole-cell double oxidation of n-heptane.
Muller CA, et al.
Journal of Biotechnology, 191, 196-204 (2014)
Madan Lal Verma et al.
Enzyme research, 2011, 919386-919386 (2011-05-24)
Selective production of fragrance fatty acid ester from isopropanol and acetic acid has been achieved using silica-immobilized lipase of Bacillus cereus MTCC 8372. A purified thermoalkalophilic extracellular lipase was immobilized by adsorption onto the silica. The effects of various parameters

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