Basic Description

Synonyms	1,4-Dioxane-(2LH8) \| 1,4-Dioxane-d8, >=99 atom % D \| AKOS015903607 \| AS-75447 \| 1,4-Dioxane-d8, 99 atom % D \| Octadeuterodioxane \| J-011197 \| 1,4-Dioxane D8 1000 microg/mL in Acetonitrile \| 1,4-Dioxane-2,2,3,3,5,5,6,6-d8 \| DTXSID10938800 \| p-Dioxane-d8 (8
Specifications & Purity	≥99 atom% D
Storage Temp	Argon charged
Shipped In	Normal
Product 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： 1,4-Dioxane-d{8} is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy and acts as a stabilizer for 1,1,1-trichloroethane.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxanes
    - Subclass 1,4-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxanes
Subclass	1,4-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,4-dioxanes
Alternative Parents	Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
INCHI	InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
InChIKey	RYHBNJHYFVUHQT-SVYQBANQSA-N
Smiles	C1COCCO1
Isomeric SMILES	[2H]C1(C(OC(C(O1)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
WGK Germany	3
Alternate CAS	123-91-1（Unlabeled）
UN Number	1165
Molecular Weight	96.15
Beilstein	1307286
Reaxy-Rn	102551
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102551&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
D2507474	Certificate of Analysis	Jan 17, 2025	D118381
D2507476	Certificate of Analysis	Jan 17, 2025	D118381
J2421472	Certificate of Analysis	Oct 14, 2024	D118381
K2406638	Certificate of Analysis	Oct 14, 2024	D118381
L2404228	Certificate of Analysis	Sep 23, 2024	D118381
F2210250	Certificate of Analysis	Mar 21, 2024	D118381
F2210256	Certificate of Analysis	Mar 21, 2024	D118381
F2210248	Certificate of Analysis	Mar 21, 2024	D118381
C2127261	Certificate of Analysis	Jan 11, 2023	D118381
C2127264	Certificate of Analysis	Jan 11, 2023	D118381
C2127263	Certificate of Analysis	Jan 11, 2023	D118381
C2127262	Certificate of Analysis	Jan 11, 2023	D118381

Show more⌵

Chemical and Physical Properties

Solubility	Miscible with water.
Sensitivity	Light sensitive,Hygroscopic
Refractive Index	1.4198
Flash Point(°F)	41.0 °F
Flash Point(°C)	5°C
Boil Point(°C)	99°C
Melt Point(°C)	12°C
Molecular Weight	96.150 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	96.1026 Da
Monoisotopic Mass	96.1026 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	26.500
Isotope Atom Count	8
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Documents & Articles

Should my NMR solvents be handled in a special way?

Categories: FAQs

Tags:

Storage and Use Information Guide of NMR Solvents

Categories: Technical articles

Tags:

Stable isotope Deuterium reagent Solvent for NMR Deuterated chloroform

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lihong Wang, Jinkai Ruan, Fan Zhang, Zhiqiang Zhang, Tao Zhang. (2024) Ozonation of dioxolanes in water: Kinetics, transformation mechanism, and toxicity. SEPARATION AND PURIFICATION TECHNOLOGY, 337 (126380).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

SKU	Size	Availability	Price
D118381-1g	1g	3	$252.90
D118381-5g	5g	2	$1,199.90
D118381-10g	10g	1	$2,265.90
D118381-10×1g	10×1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,276.90

1,4-Dioxane-d8 - D,99%, high purity , CAS No.17647-74-4