1.09671

1,4-Dioxane

for analysis EMSURE^® ACS,ISO

• Synonym(s): 1,4-Dioxane, Glycolethylether, 1,4-Diethylene dioxide, 1,4-Dioxacyclohexane
• Empirical Formula (Hill Notation): C₄H₈O₂
• CAS Number: 123-91-1
• Molecular Weight: 88.11
• MDL number: MFCD00006571
• UNSPSC Code: 12191504
• EC Index Number: 204-661-8
• NACRES: NB.21

Properties

• grade: ACS reagent
• Quality Level: 300
• agency: reag. ISO
• vapor pressure: 41 hPa ( 20 °C)
• product line: EMSURE^®
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 300 °C
• potency: 5200 mg/kg LD₅₀, oral (Rat); 7600 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.7-25.2 % (v/v)
• impurities: ≤0.0008 meq/g Acidity; ≤0.005% Acetaldehyde; ≤0.005% Peroxide (as H₂O₂); ≤0.01% Carbonyl compounds (as CO); ≤0.05% Formaldehyde; ≤0.05% Water
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• pH: 6-8 (20 °C, 500 g/L in H₂O)
• bp: 101.5 °C/1013 hPa
• mp: 12 °C
• transition temp: flash point 11 °C
• density: 1.03 g/cm³ at 20 °C
• 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%
• storage temp.: 2-30°C
• InChI: 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
• InChI key: RYHBNJHYFVUHQT-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

• Preferential Solvation Phenomena as Solute-Induced Structure-Making/Breaking Processes: Linking Thermodynamic Preferential Interaction Parameters to Fundamental Structure Making/Breaking Functions.: This study explores the solvation dynamics and interactions in solutions containing 1,4-dioxane, highlighting the solute′s influence on molecular arrangements and interactions (Chialvo AA, 2024).


• Green Synthesis of Highly Fluorescent NCQDs: A Comprehensive Study on Synthesis, Characterization, Photophysical Properties, pH Sensing, Heavy Metal Detection, and Solvatochromic Behavior through Hydrothermal Method.: Discusses the development of nanocrystals using 1,4-dioxane as a solvent, focusing on their application in environmental monitoring and chemical sensing (Negi P et al., 2024).


• Concentration Fluctuation/Microheterogeneity Duality Illustrated with Aqueous 1,4-Dioxane Mixtures.: This paper presents a theoretical analysis of the mixture behavior of water and 1,4-dioxane, providing insights into the molecular interactions and solution properties (Kolaříková A et al., 2024).


• Synthesis, molecular docking studies and biological evaluation of N-(4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl) benzamides as potential antioxidant, and anticancer agents.: Explores the synthesis of new compounds using 1,4-dioxane and their potential as therapeutic agents, highlighting the versatility of 1,4-dioxane in drug development (Jorepalli S et al., 2024).

Analysis Note

Purity (GC): ≥ 99.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Acidity: ≤ 0.0008 meq/g
Density (d 20 °C/ 4 °C): 1.030 - 1.035
Melting point: ≥ 11.0 °C
Formaldehyde: ≤ 0.05 %
Acetaldehyde: ≤ 0.005 %
Peroxide (as H₂O₂): ≤ 0.005 %
Carbonyl compounds (as CO): ≤ 0.01 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.05 %
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 %
Stabilized with 25 ppm 2,6-Di-tert-butyl-4-methylphenol (BHT).
ACS, ISO-reagent

Legal Information

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

Safety Information

• pictograms: GHS02,GHS07,GHS08
• signalword: Danger
• hcodes: H225 - H319 - H335 - H350
• pcodes: P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Respiratory system
• supp_hazards: EUH019 - EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 51.8 °F - closed cup
• flash_point_c: 11 °C - closed cup