Dioxane

Details

• Internal ID: 5354b685-91db-42f6-a77e-04fa67d6deec
• Taxonomy: Organoheterocyclic compounds > Dioxanes > 1,4-dioxanes
• IUPAC Name: 1,4-dioxane
• SMILES (Canonical): C1COCCO1
• SMILES (Isomeric): C1COCCO1
• InChI: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
• InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N
• Popularity: 33,575 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₈O₂
• Molecular Weight: 88.11 g/mol
• Exact Mass: 88.052429494 g/mol
• Topological Polar Surface Area (TPSA): 18.50 Ų
• XlogP: -0.30

Synonyms

• Dioxane
• 123-91-1
• p-Dioxane
• Diethylene ether
• 1,4-Diethylene dioxide
• Dioxan
• 1,4-Dioxacyclohexane
• Tetrahydro-p-dioxin
• Di(ethylene oxide)
• Tetrahydro-1,4-dioxin
• Dioxane-1,4
• Dioxanne
• Diethylene dioxide
• Glycol ethylene ether
• 1,4-Dioxan
• Dioxan-1,4
• p-Dioxan
• Tetrahydro-para-dioxin
• Dioxyethylene ether
• Diokan
• Dioksan
• para-Dioxane
• Diossano-1,4
• Dioxaan-1,4
• p-Dioxin, tetrahydro-
• RCRA waste number U108
• 1,4-Dioxanne
• NCI-C03689
• NSC 8728
• NE 220
• 1.4-dioxane
• 1-4 Dioxane
• MFCD00006571
• 1,4-Dioxin, tetrahydro-
• UN 1165
• J8A3S10O7S
• DTXSID4020533
• CHEBI:47032
• NSC-8728
• Glycolethylenether
• Dioksan [Polish]
• 1,4-Dioxane, HPLC Grade
• Dioxanne [French]
• p-Dioxan [Czech]
• 1,4-Diethyleneoxide
• [1,4]dioxane
• 1, 4-dioxane
• Dioxane, technical grade
• Dioxaan-1,4 [Dutch]
• Dioxan-1,4 [German]
• 1,4-Dioxanne [French]
• Diossano-1,4 [Italian]
• 28552-22-9
• HSDB 81
• CCRIS 269
• 1,4-Dioxane, ACS reagent, >=99.0%
• 1,4-Diethylenedioxide
• EINECS 204-661-8
• UN1165
• RCRA waste no. U108
• BRN 0102551
• paradioxane
• UNII-J8A3S10O7S
• AI3-01055
• P-Doxane
• 1,4dioxane
• 1,4dioxan
• 1,4 dioxane
• 1-4-dioxane
• 1,4 dioxan
• Dioxane 1.4
• 1 ,4-dioxane
• 1, 4 dioxane
• 1,-4-dioxane
• 1,4 -dioxane
• 1,4,-dioxane
• 1,4- dioxane
• 1,4-di-oxane
• 1 ,4-dioxan
• 1,4 -dioxan
• [1,4]-dioxane
• Glycol ethylene ether 8
• DIOXANE [MI]
• 1,4-Dioxane, anhydrous
• DIOXAN [MART.]
• WLN: T6O DOTJ
• EC 204-661-8
• 1,4-Dioxane, for HPLC
• 1,4-Dioxane, ACS Grade
• 5-19-01-00016 (Beilstein Handbook Reference)
• BIDD:ER0341
• DTXCID00533
• 1,4-DIOXANE [HSDB]
• 1,4-DIOXANE [IARC]
• CHEMBL453716
• 1,4-Dioxane, SAJ first grade
• 1,4-DIOXANE [USP-RS]
• NSC8728
• 1,4-Dioxane, analytical standard
• 1,4-Dioxane, p.a., 99%
• 1,4-Dioxane, LR, >=99%
• AMY33329
• BCP16201
• 1,4-Dioxane, anhydrous, 99.8%
• Tox21_200971
• AKOS000120203
• 1,4-Dioxane, AR, >=99.5%
• 1,4-Dioxane, HPLC grade, 99.9%
• DB03316
• Dioxane [UN1165] [Flammable liquid]
• NCGC00248888-01
• NCGC00258524-01
• 1,4-Dioxane, for HPLC, >=99.5%
• 1,4-Dioxane, for HPLC, >=99.7%
• 1,4-Dioxane, ReagentPlus(R), >=99%
• CAS-123-91-1
• 1,4-Dioxane 1000 microg/mL in Methanol
• 1,4-Dioxane, AldraSORB(TM), 99.8%
• 1,4-Dioxane, histological grade, >=99%
• D0860
• FT-0606896
• FT-0606897
• 1,4-Dioxane 1000 microg/mL in Acetonitrile
• 1,4-Dioxane, JIS special grade, >=99.0%
• 1,4-Dioxane, spectrophotometric grade, >=99%
• 1,4-Dioxane, UV HPLC spectroscopic, 99.9%
• 1,4-Dioxane, anhydrous, ZerO2(TM), 99.8%
• Q161532
• J-004995
• J-523874
• BRD-K42978307-001-01-0
• InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H
• 1,4-Dioxane, >=99.5%, for titration in non-aqueous medium
• 1,4-Dioxane, puriss. p.a., dried, >=99.5% (GC), <=0.005% water
• 1,4-Dioxane, Pharmaceutical Secondary Standard; Certified Reference Material
• 1,4-Dioxane, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
• 1,4-Dioxane, puriss., absolute, over molecular sieve (H2O <=0.01%), >=99.5% (GC)
• 39449-24-6
• 54841-74-6
• Residual Solvent Class 2 - 1,4-Dioxane, United States Pharmacopeia (USP) Reference Standard

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
No predicted targets yet!

Plants that contains it

• Opuntia ficus-indica
• Zingiber mioga

Cross-Links

• PubChem: 31275
• LOTUS: LTS0186941
• wikiData: Q161532