1,4-dioxane
Synonyms: "Dioxane", "p-Dioxane", "1,4-Diethylene dioxide", "Diethylene ether", "Dioxan", "1,4-Dioxacyclohexane", "Dioxanne", "Diethylene dioxide", "Tetrahydro-p-dioxin", "Tetrahydro-1,4-dioxin", "Dioxane-1,4", "Glycol ethylene ether", "1,4-Dioxan", "p-Dioxan", "Dioxan-1,4", "Dioxyethylene ether", "Dioksan", "Diokan", "para-Dioxane", "Tetrahydro-para-dioxin", "Diossano-1,4", "Dioxaan-1,4", "1,4-Diethyleneoxide", "Glycolethylenether"
Source: 1,4-Dioxane is a cyclic ether used as a solvent or formed as an undesired by-product in many industrial processes.
Identifiers:
IUPAC Name: 1,4-dioxane
CAS Number: 123-91-1
PubChem ID: 31275
InChiKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
Canonical SMILES: C1COCCO1
Structural Properties:
Molecular Formula: C4H8O2
Molecular Weight: 88.11
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 6
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Evidence Supporting This Chemical as an Emerging Contaminant
La Farre, M., P?rez, S., Kantiani, L., & Barcel?, D. (2008). Fate and toxicity of emerging pollutants, their metabolites and transformation products in the aquatic environment. TrAC Trends in Analytical Chemistry, 27(11), 991-1007.
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