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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
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isotopic purity

≥99 atom % D

Quality Segment

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

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).

Other Notes

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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

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