1.04366

n-Heptane

for spectroscopy Uvasol^®

• 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

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 100
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• Assay: ≥99.3% (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.
• technique(s): UV/Vis spectroscopy: suitable
• impurities: ≤0.0001 meq/g Acidity; ≤0.0002 meq/g Alkalinity; ≤0.005% Water
• evapn. residue: ≤0.0002%
• color: APHA: ≤10
• transmittance: 200 nm, ≥20%; 210 nm, ≥55%; 220 nm, ≥80%; 228 nm, ≥90%; 245 nm, ≥98%
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• transition temp: flash point -4 °C
• solubility: 0.05 g/L
• density: 0.684 g/mL at 25 °C (lit.)
• UV absorption: λ: 200 nm A_max: ≤0.70; λ: 210 nm A_max: ≤0.26; λ: 220 nm A_max: ≤0.10; λ: 228 nm A_max: ≤0.05; λ: 245 nm A_max: ≤0.01
• greener alternative category: , Aligned
• storage temp.: 2-30°C
• 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

Accurate analytic results in UV/VIS and infrared spectroscopy depend on the use of very pure solvents for sample preparation. The Uvasol<TMSYMBOL></TMSYMBOL> solvents range has been specially designed for spectroscopy and other applications requiring solvents of the highest spectral purity. The refinement process allows a greater degree of security in applications and avoids misinterpretation of analytical results caused by traces of UV, IR and fluorescence contamination. Uvasol<TMSYMBOL></TMSYMBOL> solvents offer best UV transmittance. In all specifications the minimum transmittance for 5 typical wavelengths are identified.

Application

• Cloning, Expression, Characterization and Immobilization of a Recombinant Carboxylesterase from the Halophilic Archaeon, Halobacterium salinarum NCR-1.: This study involves the characterization and immobilization of a recombinant carboxylesterase using n-Heptane as a solvent in the enzyme activity assays, highlighting its potential applications in biocatalysis and industrial processes (Ortega-de la Rosa et al., 2024).


• Biomonitoring of volatile organic compounds and organophosphorus flame retardants in commercial aircrews after "fume and smell events".: This research employs n-Heptane in analytical methods for detecting volatile organic compounds, underlining its importance in environmental health studies and air quality monitoring (Weiss et al., 2024).


• Exploring Deactivation Reasons of Biomass-Based Phosphorus-Doped Carbon as a Metal-Free Catalyst in the Catalytic Dehydroaromatization of n-Heptane.: This article examines the deactivation of catalysts in the dehydroaromatization process of n-Heptane, providing insights into catalyst design and optimization for chemical synthesis (Yu et al., 2024).


• Reversible solvent interactions with UiO-67 metal-organic frameworks.: The study explores the interactions of n-Heptane with metal-organic frameworks, demonstrating its application in materials science and solvent recovery processes (Goodenough et al., 2024).


• Capillary electrokinetic chromatography for chiral separation of potential SARS-CoV-2 3CL protease inhibitors.: This research uses n-Heptane in capillary electrokinetic chromatography for the chiral separation of pharmaceutical compounds, emphasizing its role in drug development and analytical chemistry (Brier et al., 2024).

Analysis Note

Purity (GC): ≥ 99.3 %
Evaporation residue: ≤ 0.0002 %
Water: ≤ 0.005 %
Color: ≤ 10 Hazen
Acidity: ≤ 0.0001 meq/g
Alkalinity: ≤ 0.0002 meq/g
Fluorescence (as quinine at 254 nm): ≤ 1.0 ppb
Fluorescence (as quinine at 365 nm): ≤ 1.0 ppb
Transmission (at 200 nm): ≥ 20 %
Transmission (at 210 nm): ≥ 55 %
Transmission (at 220 nm): ≥ 80 %
Transmission (at 228 nm): ≥ 90 %
Transmission (from 245 nm): ≥ 98 %
Absorbance (at 200 nm): ≤ 0.70
Absorbance (at 210 nm): ≤ 0.26
Absorbance (at 220 nm): ≤ 0.10
Absorbance (at 228 nm): ≤ 0.05
Absorbance (from 245 nm): ≤ 0.01

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

UVASOL 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