592579

Heptane

suitable for HPLC, ≥96%

• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• Beilstein: 1730763
• EC Number: 205-563-8
• MDL number: MFCD00009544
• PubChem Substance ID: 329758614
• NACRES: NA.06

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 100
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• Assay: ≥96%
• form: liquid
• autoignition temp.: 433 °F
• composition: n-heptane, 96%
• expl. lim.: 7 %
• greener alternative product characteristics: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• technique(s): HPLC: suitable
• impurities: <0.02% water
• evapn. residue: <0.0003%
• color: APHA: ≤10
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.); 98 °C
• mp: −91 °C (lit.)
• solubility: acetone: miscible(lit.); carbon tetrachloride: soluble(lit.); ethanol: very soluble(lit.); ethyl acetate: miscible(lit.); water: insoluble(lit.)
• density: 0.684 g/mL at 25 °C (lit.)
• λmax: 400 nm (2nd); 0.01 at 254 nm
• absorption: 0.10 at 225 nm; 0.40 at 210 nm; 1.0 at 197 nm
• 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 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).

Application

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.

Features and Benefits

Greener alternative for hexane

Other Notes

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

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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