186406

1,4-Dioxane-d₈

≥99 atom % D

• Synonyme(s) : p-Dioxane-d₈, Octadeuterodioxane
• Formule empirique (notation de Hill): C₄D₈O₂
• Numéro CAS: 17647-74-4
• Poids moléculaire : 96.15
• Numéro Beilstein : 1307286
• Numéro CE : 241-628-7
• Numéro MDL: MFCD00044239
• Code UNSPSC : 12142201
• ID de substance PubChem : 24851219
• Nomenclature NACRES : NA.21

Propriétés

• Pureté isotopique: ≥99 atom % D
• Pureté: ≥99% (CP)
• Forme: liquid
• Technique(s): NMR: suitable
• Indice de réfraction: n20/D 1.4198 (lit.)
• Point d'ébullition: 99 °C (lit.)
• Pf: 12 °C (lit.)
• Densité: 1.129 g/mL at 25 °C (lit.)
• Changement de masse: M+8
• Chaîne SMILES: [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
• Clé InChI: RYHBNJHYFVUHQT-SVYQBANQSA-N

Description

Description générale

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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Informations sur la sécurité

• Pictogrammes: GHS02,GHS08,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225,H319,H335,H350
• Conseils de prudence: P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
• Classification des risques: Carc. 1B - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Organes cibles: Respiratory system
• Risques supp: EUH019,EUH066
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 41.0 °F - closed cup
• Point d'éclair (°C): 5 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter