186406

1,4-Dioxane-d₈

≥99 atom % D

• Synonym(s): p-Dioxane-d₈, Octadeuterodioxane
• Empirical Formula (Hill Notation): C₄D₈O₂
• CAS Number: 17647-74-4
• Molecular Weight: 96.15
• Beilstein/REAXYS Number: 1307286
• EC Number: 241-628-7
• MDL number: MFCD00044239
• UNSPSC Code: 12142201
• PubChem Substance ID: 24851219
• NACRES: NA.21

Properties

• isotopic purity: ≥99 atom % D
• Quality Level: 100
• assay: ≥99% (CP)
• form: liquid
• technique(s): NMR: suitable
• refractive index: n20/D 1.4198 (lit.)
• bp: 99 °C (lit.)
• mp: 12 °C (lit.)
• density: 1.129 g/mL at 25 °C (lit.)
• mass shift: M+8
• SMILES string: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]
• InChI: 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
• InChI key: RYHBNJHYFVUHQT-SVYQBANQSA-N

Description

General description

1,4-Dioxane-d₈ is a deuterated derivative of 1,4-dioxane. It has an isotopic purity of 99atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical). It is widely employed as a deuterated standard. It participates as a surrogate standard during the activated carbon SPE (solid-phase extraction) and GC-MS-SIM (gas chromatography-mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode) quantification of 1,4-dioxane in drinking water.

Application

• Neutron Scattering of Residual Hydrogen in 1,4-Dioxane-d8 Liquid: Understanding Measurements with Molecular Dynamics Simulations: This study utilizes 1,4-Dioxane-d8 to enhance neutron scattering measurements, providing crucial data for researchers in material science and analytical chemistry on solvent behavior and molecular interactions (de Almeida et al., 2016).
• Biodegradation of 1,4-dioxane and transformation of related cyclic compounds by a newly isolated Mycobacterium sp. PH-06: This research highlights the degradation pathways of 1,4-Dioxane-d8, contributing to environmental sciences by offering insights into bioremediation techniques that mitigate solvent impact (Kim et al., 2009).
• Degradation of 1,4-dioxane and cyclic ethers by an isolated fungus: Explores the fungal degradation of cyclic ethers, including 1,4-Dioxane-d8, underscoring its significance in environmental cleanup and testing standards for academic and pharmaceutical research on organic pollutant breakdown (Nakamiya et al., 2005).

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Safety Information

• pictograms: GHS02,GHS08,GHS07
• 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: 41.0 °F - closed cup
• flash_point_c: 5 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter