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CHEBI:47032 - 1,4-dioxane

ChEBI IDCHEBI:47032
ChEBI Name1,4-dioxane
Stars
DefinitionA dioxane with oxygen atoms at positions 1 and 4.
Secondary ChEBI IDsCHEBI:34064, CHEBI:41951, CHEBI:46925
Last Modified7 August 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILESC1COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKeyRYHBNJHYFVUHQT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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:
ChEBI Ontology
Outgoing Relation(s)
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)
1,4-dioxane (CHEBI:47032) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
1,4-dioxane
Synonyms  Source
1,4-DioxaneKEGG COMPOUND
p-DioxaneKEGG COMPOUND
1,4-DIETHYLENE DIOXIDEPDBeChem
dioxane-1,4ChemIDplus
1,4-dioxacyclohexaneChemIDplus
glycol ethylene etherChemIDplus
Manual XrefsDatabases
C14440KEGG COMPOUND
DIOPDBeChem
DB03316DrugBank
1,4-DioxaneWikipedia
LSM-37087LINCS
1638PPDB
Registry NumbersSources
Reaxys:102551Reaxys
CAS:123-91-1KEGG COMPOUND
CAS:123-91-1ChemIDplus
CAS:123-91-1NIST Chemistry WebBook
Citations