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676934 Sigma-Aldrich

1,4-Dioxane

ACS reagent, ≥99.0%

Synonym: Diethylene oxide, Dioxane

  • CAS Number 123-91-1

  • Empirical Formula (Hill Notation) C4H8O2

  • Molecular Weight 88.11

  •  Beilstein/REAXYS Number 102551

  •  EC Number 204-661-8

  •  MDL number MFCD00006571

  •  PubChem Substance ID 329760662

  •  NACRES NA.21

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Properties

Related Categories Aluminum Bottles, Solvent Bottles, Solvent Packaging Options, Solvents
Quality Level   200
grade   ACS reagent
vapor density   3 (vs air)
vapor pressure   27 mmHg ( 20 °C)
  40 mmHg ( 25 °C)
assay   ≥99.0%
form   liquid
autoignition temp.   356 °F
expl. lim.   22 %
application(s)   thin layer chromatography (TLC): suitable
impurities   ≤0.0016 meq/g Titr. acid
  ≤0.005% Peroxide as (H2O2)
  ≤0.01% Carbonyl (as HCHO)
  ≤0.05% water
evapn. residue   ≤0.005%
color   APHA: ≤20
refractive index   n20/D 1.422 (lit.)
pH   6.0-8 (20 °C, 500 g/L)
bp   100-102 °C (lit.)
mp   10-12 °C (lit.)
transition temp   freezing point ≥11.0
density   1.034 g/mL at 25 °C (lit.)
SMILES string   C1COCCO1
InChI   1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI key   RYHBNJHYFVUHQT-UHFFFAOYSA-N

Description

General description

1,4-Dioxane is widely used as a solvent for various organic compounds in industry. It is a non-biodegradable contaminant found in industrial effluents. Its oxidative degradation by using oxygen and ozone has been useful in converting it into biodegradable products, which can be easily removed by conventional methods.

Application

1,4-Dioxane may be employed as solvent in the synthesis of N-(4-(prop-2-ynyloxy)phenyl)acetamide and 3-(4-(prop-2-ynyloxy)phenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine.

Packaging

1, 4 L in aluminum bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
Supplemental Hazard Statements 
EUH019 - EUH066
RIDADR 
UN1165 - class 3 - PG 2 - Dioxane
WGK Germany 
WGK 2
RTECS 
JG8225000
Flash Point(F) 
53.6 °F - closed cup
Flash Point(C) 
12 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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