32287-M

Heptane

puriss. p.a., reag. Ph. Eur., ≥99% n-heptane basis (GC)

• 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

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS02,GHS08,GHS07,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 - closed cup
• Flash Point(C): -4.00 °C - closed cup