650536

Heptane

HPLC Plus, for HPLC, GC, and residue analysis, 99%

• 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: 12190000
• PubChem Substance ID: 329760027
• NACRES: NA.06

Properties

• grade: HPLC Plus; for residue analysis
• Quality Level: 100
• vapor density: 3.5 (vs air)
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• Assay: ≥98.5% (GC); 99%
• 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.
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• impurities: ≤0.0001% non-volatiles; ≤0.01% water (Karl Fischer); ≤1.0 ppb Fluorescence (quinine) at 365 nm
• halogenated residue: ≤2 μg/L (as heptachlor epoxide)
• refractive index: n20/D 1.3850-1.3890; n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• solubility: acetone: miscible(lit.); carbon tetrachloride: soluble(lit.); ethanol: very soluble(lit.); water: insoluble(lit.)
• density: 0.684 g/mL at 25 °C (lit.)
• λ: H₂O reference
• UV absorption: λ: 200 nm A_max: ≤1.0; λ: 225 nm A_max: ≤0.10; λ: 250 nm A_max: ≤0.01; λ: 300-400 nm A_max: ≤0.005
• suitability: corresponds for IR spectroscopy
• application(s): food and beverages
• 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

Description

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 for HPLC and GC and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.

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).

Application

Greener alternatives to Hexane in HPLC.
Spectrophotometry.
Environmental testing.

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.

Features and Benefits

Greener alternative for hexane

Other Notes

What is a green solvent? A comprehensive framework for the environmental assessment of solvents

Pesticide Residue Analysis (as Heptachlor Epoxide) <2 μg/L

Pure-Pac^® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

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Legal Information

Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS07,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H225 - H304 - H315 - H336 - H410
• Precautionary Statements: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• 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