CHEBI:47032 - 1,4-dioxane

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 1,4-dioxane
ChEBI ID CHEBI:47032
Definition A dioxane with oxygen atoms at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41951, CHEBI:46925, CHEBI:34064
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Formula C4H8O2
Net Charge 0
Average Mass 88.10512
InChI InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey RYHBNJHYFVUHQT-UHFFFAOYSA-N
SMILES C1COCCO1
Roles Classification
Chemical Role(s): non-polar solvent

Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): non-polar solvent

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ChEBI Ontology
Outgoing 1,4-dioxane (CHEBI:47032) has role carcinogenic agent (CHEBI:50903)
1,4-dioxane (CHEBI:47032) has role non-polar solvent (CHEBI:48355)
1,4-dioxane (CHEBI:47032) is a dioxane (CHEBI:46923)
IUPAC Name
1,4-dioxane
Synonyms Sources
1,4-DIETHYLENE DIOXIDE PDBeChem
1,4-dioxacyclohexane ChemIDplus
1,4-Dioxan NIST Chemistry WebBook
1,4-Dioxane KEGG COMPOUND
di(ethylene oxide) ChemIDplus
Dioxan-1,4 ChemIDplus
dioxane-1,4 ChemIDplus
glycol ethylene ether ChemIDplus
p-Dioxane KEGG COMPOUND
tetrahydro-1,4-dioxin NIST Chemistry WebBook
tetrahydro-p-dioxin ChemIDplus
tetrahydro-para-dioxin ChemIDplus
Database Links Databases
1,4-Dioxane Wikipedia
C14440 KEGG COMPOUND
DB03316 DrugBank
DIO PDBeChem
View more database links
Registry Numbers Types Sources
102551 Reaxys Registry Number Reaxys
102551 Beilstein Registry Number Beilstein
123-91-1 CAS Registry Number KEGG COMPOUND
123-91-1 CAS Registry Number ChemIDplus
123-91-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
14550759 PubMed citation CiteXplore
18044507 PubMed citation CiteXplore
20598439 PubMed citation CiteXplore
Last Modified
14 July 2014