1,4-dioxane

CAS 123-91-1  ·  C4H8O2  ·  MW 88.11 g/mol

Loading molecule...
3D model 1,4-Dioxane, CAS 123-91-1, molecular formula C4H8O2, molar mass 88.11 g/mol
About 1,4-dioxane

1,4-dioxane is a chemical compound registered under number CAS 123-91-1, with the molecular formula C4H8O2, and a molar mass of 88.11 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 1,4-dioxane. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -0.3 (negative value, a hydrophilic compound), polar surface area PSA = 18.5 Ų, 0 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC4H8O2
Masa molowa88.11 g/mol
IUPAC1,4-dioxane
SMILESC1COCCO1
InChIKeyRYHBNJHYFVUHQT-UHFFFAOYSA-N
logP (XLogP3)-0.3
PSA18.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 31275 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H225 — Wysoce łatwopalna ciecz i pary

H350 — Może powodować raka

H335 — Może powodować podrażnienie dróg oddechowych

H319 — Działa drażniąco na oczy

EUH019 — Może tworzyć nadtlenki o właściwościach wybuchowych

EUH066 — Powtarzające się narażenie może powodować wysuszanie lub pękanie skóry

Scientific literature

Related literature

7 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
1,4-dioxane (CAS 123-91-1), C4H8O2 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewPobierz obraz

MG-STL-123-91-1-GRAVERED · 160,510 △ · 8 MB · SHA-256 b397b0faa18503ec

Download 3D model · C H O

1,4-dioxane (CAS 123-91-1), C4H8O2 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-123-91-1-NORMAL · 5,824 △ · 284 KB · SHA-256 64288a01443209eb

Download 3D model

Model
1,4-dioxane · 123-91-1
InChIKey
RYHBNJHYFVUHQT-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1,4-dioxane (CAS 123-91-1)
License & provenance record
1,4-dioxane (CAS 123-91-1) →
MolGod molecule record
1,4-dioxane →
Source data
PubChem CID 31275 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
64288a01443209ebd9664cd1783b2496ea7659e95928d931a0256accd9c73d37
MD5 (STL)
e934f28759fa874186caf1f7b04a139c
Model identifier
MG-STL-123-91-1
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

—