1.04379

n-Heptane

for analysis EMSURE^® Reag. Ph Eur

• Synonym(s): Heptane
• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• Beilstein: 1730763
• MDL number: MFCD00009544
• UNSPSC Code: 12191502
• EC Index Number: 205-563-8
• NACRES: NB.21

Properties

• Agency: reag. Ph. Eur.
• Quality Level: 300
• vapor density: 3.5 (vs air)
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• product line: EMSURE^®
• Assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 433 °F
• potency: >5000 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7 %
• greener alternative product characteristics: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• impurities: ≤0.0005% Free acid (as CH₃COOH); ≤0.005% Sulfur compounds (as S); ≤0.01% Water; ≤0.1% Aromatic hydrocarbons (as C₆H₆)
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• transition temp: flash point -4 °C
• density: 0.684 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.00001%; B: ≤0.000002%; Ba: ≤0.00001%; Ca: ≤0.00005%; Cd: ≤0.000005%; Co: ≤0.000002%; Cr: ≤0.000002%; Cu: ≤0.000002%; Fe: ≤0.00001%; Mg: ≤0.00001%; Mn: ≤0.000002%; Ni: ≤0.000002%; Pb: ≤0.00001%; Sn: ≤0.00001%; Zn: ≤0.00001%
• SMILES string: CCCCCCC
• greener alternative category: Aligned
• storage temp.: 2-30°C
• InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChI key: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Description

General description

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Application

n-Heptane is used as a:

• Solvent in the extraction of sulfur-containing hydrocarbons.
• Substrate for the double oxidation of medium-chain alkanes.

Analysis Note

Purity (GC): ≥ 99 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Free acid (as CH₃COOH): ≤ 0.0005 %
Density (d 20 °C/20 °C): 0.683 - 0.686
Refractive index (n 20/D): 1.387 - 1.388
Boiling range (97°C-98°C): ≥ 95 % (v/v)
Aromatic hydrocarbons (as C₆H₆): ≤ 0.1 %
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
Al (Aluminium): ≤ 0.00001 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.01 %
Ph Eur-reagent

Other Notes

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 compared to hexane and thus align with "Safer Solvents and Auxiliaries". Click here for more information.

Legal Information

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany

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 °C - closed cup