CHEBI:47032 - 1,4-dioxane

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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
Monoisotopic Mass 88.052
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): non-polar solvent

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,4-dioxane (CHEBI:47032) has role carcinogenic agent (CHEBI:50903)
1,4-dioxane (CHEBI:47032) has role metabolite (CHEBI:25212)
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
LSM-37087 LINCS
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 Europe PMC
18044507 PubMed citation Europe PMC
20598439 PubMed citation Europe PMC
Last Modified
26 February 2016