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Supelco

1,4-Dioxane

analytical standard

Synonym(s):

Diethylene oxide, Dioxane

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About This Item

Empirical Formula (Hill Notation):
C4H8O2
CAS Number:
Molecular Weight:
88.11
Beilstein/REAXYS Number:
102551
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

3 (vs air)

vapor pressure

27 mmHg ( 20 °C)
40 mmHg ( 25 °C)

assay

≥99.5% (GC)

autoignition temp.

356 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

22 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.422 (lit.)
n20/D 1.422

bp

100-102 °C (lit.)

mp

10-12 °C (lit.)

density

1.034 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

C1COCCO1

InChI

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

InChI key

RYHBNJHYFVUHQT-UHFFFAOYSA-N

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General description

1,4-Dioxane is an organic compound and an environmental contaminant, generally found in industrial waste streams and by-products. It is commonly used as an industrial solvent, in cosmetic products and household products such as lotions, soap, shampoos, bath foams.

Application

1,4-Dioxane may be used as an analytical reference standard for the quantification of the analyte in water samples using different chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Certificates of Analysis (COA)

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1,4-Dioxane suitable for HPLC, ≥99.5%

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1,4-Dioxane-d8 ≥99 atom % D

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1,4-Dioxane ACS reagent, ≥99.0%

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1,4-Dioxane

1,4-Dioxane solution NMR reference standard, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 3 mm × 8 in.

Sigma-Aldrich

612073

1,4-Dioxane solution

Trace-level determination of 1, 4-dioxane in water by isotopic dilution GC and GC-MS
Draper.MW, et al.
Analyst, 125(8), 1403-1408 (2008)
Simultaneous determination of 22 volatile organic compounds, methyl-tert-butyl ether, 1, 4-dioxane, 2-methylisoborneol and geosmin in water by headspace solid phase microextraction-gas chromatography-mass spectrometry
Nakamura S and Daishima S
Analytica Chimica Acta, 548(1-2), 79-85 (2005)
Xiaohua Liu et al.
Biomaterials, 31(2), 259-269 (2009-09-29)
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Terephthalic acid (PTA), a monomer in the synthesis of polyethylene terephthalate (PET), is obtained by the oxidation of petroleum-derived p-xylene. There is significant interest in the synthesis of renewable, biomass-derived PTA. Here, routes to PTA starting from oxidized products of

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