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Merck
CN

186406

1,4-Dioxane-d8

≥99 atom % D

Synonym(s):

p-Dioxane-d8, Octadeuterodioxane

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About This Item

Empirical Formula (Hill Notation):
C4D8O2
CAS Number:
17647-74-4
Molecular Weight:
96.15
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24851219
EC Number:
241-628-7
Beilstein/REAXYS Number:
1307286
MDL number:
MFCD00044239
Isotopic purity:
≥99 atom % D
Assay:
≥99% (CP)
Mass shift:
M+8
Form:
liquid

Key Documents

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InChI key

RYHBNJHYFVUHQT-SVYQBANQSA-N

InChI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2

SMILES string

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]

isotopic purity

≥99 atom % D

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

Quality Level

100

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Related Categories

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.

Other Notes

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signalword

Danger

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

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

Regulatory Information

危险化学品
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ9255
MKCZ7664
MKCZ7652
MKCZ7729
MKCZ7653

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Method development for the analysis of 1, 4-dioxane in drinking water using solid-phase extraction and gas chromatography-mass spectrometry
Grimmett PE and Munch JW.
Journal of Chromatographic Science, 47(1), 31-39 (2009)

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NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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