1,4-Dioxane-d8
ALDRICH/186406 - ≥99 atom % D
Synonym: p-Dioxane-d8; Octadeuterodioxane
CAS Number: 17647-74-4
Empirical Formula (Hill Notation): C4D8O2
Molecular Weight: 96.15
EC Number: 241-628-7
MDL Number: MFCD00044239
Linear Formula: C4D8O2
Product Type: Chemical
| assay | ≥99% (CP) |
| bp | 99 °C (lit.) |
| density | 1.129 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C4H8O2/c1-2-6-4-3-5-1/ |
| InChI key | RYHBNJHYFVUHQT-SVYQBANQSA |
| isotopic purity | ≥99 atom % D |
| mass shift | M+8 |
| mp | 12 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | [2H]C1([2H])OC([2H])([2H] |
| technique(s) | NMR: suitable |
| 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 ). |
| 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. |
| Packaging: | 1, 10×1, 5, 10 g in ampule |
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| Symbol |    GHS02,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H335 - H351 |
| Precautionary statements | P201 - P210 - P305 + P351 + P338 - P308 + P313 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-19-36/37-40-66 |
| Safety Statements | 9-16-36/37-46 |
| RIDADR | UN1165 - class 3 - PG 2 - Dioxane |
| WGK Germany | WGK 3 |
| Supplemental Hazard Statements | EUH019 - EUH066 |
| Purity | ≥99% (CP) |
| bp | 99 °C (lit.) |
| mp | 12 °C (lit.) |
| Density | 1.129 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |