1.04374

Hexane

≥98.50% (hexane isomers + methylcyclopentane, GC), ≥96.0% (GC), ACS reagent, reag. Ph. Eur., EMSURE^®

• Synonym(s): Hexane, n-Hexane
• Linear Formula: CH₃(CH₂)₄CH₃
• CAS Number: 110-54-3
• Molecular Weight: 86.18
• Beilstein/REAXYS Number: 1730733
• MDL number: MFCD00009520
• UNSPSC Code: 12191502
• EC Index Number: 203-777-6
• NACRES: NB.21

Properties

• product name: n-Hexane, for analysis EMSURE^® ACS,Reag. Ph Eur
• grade: ACS reagent
• Quality Level: 300
• agency: reag. Ph. Eur.
• vapor density: ~3 (vs air)
• vapor pressure: 256 mmHg ( 37.7 °C); 5.2 psi ( 37.7 °C); ~132 mmHg ( 20 °C)
• product line: EMSURE^®
• assay: ≥96.0% (GC); ≥98.50% (hexane isomers + methylcyclopentane, GC)
• form: liquid
• autoignition temp.: 453 °F
• potency: 25000 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7.7 %
• impurities: ≤0.0003 meq/g Water-soluble titrable acid; ≤0.005% Sulfur compounds (as S); ≤0.01% Aromatics (as benzene); ≤0.01% Water
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• transmittance: 260-420 nm, ≥97%
• refractive index: n20/D 1.375 (lit.)
• kinematic viscosity: 0.50 cSt(20 °C)
• bp: 69 °C (lit.)
• mp: −95 °C (lit.)
• transition temp: flash point -22 °C
• density: 0.659 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.00005%; 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: CCCCCC
• storage temp.: 2-30°C
• InChI: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
• InChI key: VLKZOEOYAKHREP-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

• Oil produced from Ghana Shea Nut crop for prospective industrial applications.: This study explores the industrial applications of oil derived from Ghana′s Shea Nut crop, using n-hexane as a solvent for oil extraction. It discusses the properties of the oil, potential uses, and the role of n-hexane in obtaining high purity extracts (Alale et al., 2024).


• Bio-guided isolation of a new sesquiterpene from Artemisia cina with anthelmintic activity against Haemonchus contortus L3 infective larvae.: This research highlights the use of n-hexane in the extraction and isolation of bioactive compounds, specifically a new sesquiterpene with potential anthelmintic properties, demonstrating n-hexane′s effectiveness in phytochemical extraction (Arango-De la Pava et al., 2024).


• Rapid purification and scale-up of tilianin using counter-current chromatography with rectangular horizontal tubing.: Discusses the use of n-hexane in counter-current chromatography for the rapid purification and scale-up of tilianin, a bioactive compound, showcasing the solvent′s role in enhancing the efficiency of chromatographic processes (Zhang et al., 2024).


• Phytochemicals, Antioxidant, and Antidiabetic Effects of Ranunculus hirtellus Aerial Parts and Roots: Methanol and Aqueous Extracts.: While primarily focusing on methanol and aqueous extracts, this study also discusses the comparative effectiveness of different solvents including n-hexane for extracting bioactive compounds from Ranunculus hirtellus, highlighting its potential in pharmacological studies (Ishtiaq et al., 2024).

Analysis Note

Purity (GC): ≥ 96.0 %
Purity Σ hexane isomers + methylcyclopentane (GC): ≥ 98.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Water-soluble titrable acid: ≤ 0.0003 meq/g
Refractive index (n 20/D): 1.375 - 1.376
Density (d 20 °C/20 °C): 0.659 - 0.663
Boiling range (min.95 %): 67 - 69 °C
Transmission (between 260 nm and 420 nm): ≥ 97 %
Thiophene: conforms
Aromatics (as benzene): ≤ 0.01 %
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
Al (Aluminium): ≤ 0.00005 %
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 %

Legal Information

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

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H361f,H373,H411
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Central nervous system, Nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: -7.6 °F - closed cup
• flash_point_c: -22 °C - closed cup