chempirical

1,4-Dioxane

C4H8O2CAS 123-91-188.11 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C4H8O2
Molar mass
88.11 g/mol
Exact mass
88.0524 Da
Density
1.0337 g/mL (at 20 °C)
Melting point
11.8 °C
Boiling point
101.1 °C
Flash point
12 °C (closed cup)
Water solubility
miscible
logP
0.03Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
123-91-1
SMILES
C1COCCO1
InChIKey
RYHBNJHYFVUHQT-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • p-Dioxane
  • Diethylene dioxide
  • Diethylene ether
  • Diethylene oxide
  • 1,4-Dioxacyclohexane
  • 1,4-Diethylene dioxide
  • Dioxyethylene ether
  • 1,4-Dioxin, tetrahydro-
  • Dioxane
  • p-Dioxan
  • Dioxan
  • 1,4-Dioxan
  • NE 220
  • NSC 8728

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 123-91-1. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 1,4-Dioxane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Dioxane-D817647-74-4Labelled

Similar compounds

18-Crown-617455-13-9100 % similar 12-Crown-4294-93-9100 % similar 15-Crown-533100-27-5100 % similar Ethylene oxide75-21-8100 % similar Tetrahydrofuran109-99-956 % similar Oxetane503-30-056 % similar Dioxolane646-06-056 % similar Diglyme111-96-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 Ethyl acetate141-78-6 2-Methylene-1,3-propanediol3513-81-3 3-Hydroxytetrahydrofuran453-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia