Molecular properties
- Formula
- C4H8O2
- Molar mass
- 88.11 g·mol−1
- Exact mass
- 88.0524 Da
- 1
- 0
- 2
- 18.50 Ų
- -0.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 123-91-1
- PubChem CID
- 31275
Molecule record
1,4-DIOXANE
C4H8O2
88.11 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Aromatic ring
Ether
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,4-Diethylene dioxide
- 1,4-Dioxacyclohexane
- 1,4-Dioxan
- 123-91-1
- Di(ethylene oxide)
- Diethylene dioxide
- Diethylene ether
- Diokan
Show all 22 synonyms
- Dioksan
- Dioxan
- Dioxan-1,4
- Dioxane
- Dioxane-1,4
- Dioxanne
- Dioxyethylene ether
- Glycol ethylene ether
- Tetrahydro-1,4-dioxin
- Tetrahydro-p-dioxin
- Tetrahydro-para-dioxin
- p-Dioxan
- p-Dioxane
- para-Dioxane
Structure identifiers
- Canonical SMILES
- C1COCCO1
- Isomeric SMILES
- C1COCCO1
- InChI
- InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
- InChIKey
- RYHBNJHYFVUHQT-UHFFFAOYSA-N
- PubChem CID
- 31275
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 1,4-DIOXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1,4-DIOXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.