Compound: 1,4-DIOXANE
SMILES: O1CCOCC1
InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
Synonyms: 1,4-DIOXANE, Dioxane, 123-91-1, p-Dioxane, Diethylene ether, 1,4-Diethylene dioxide, 1,4-Dioxacyclohexane, Dioxan, Tetrahydro-1,4-dioxin, Tetrahydro-p-dioxin, Di(ethylene oxide), Diethylene dioxide, Dioxanne, Dioxane-1,4, 1,4-Dioxan, Glycol ethylene ether, Dioxan-1,4, p-Dioxan, Tetrahydro-para-dioxin, Dioxyethylene ether, Dioksan, Diokan, para-Dioxane, Diossano-1,4, Dioxaan-1,4, Glycolethylenether, p-Dioxin, tetrahydro-, 1,4-Dioxanne, RCRA waste number U108, 1,4-Diethyleneoxide, NCI-C03689, Dioxane, technical grade, NE 220, DTXSID4020533, J8A3S10O7S, NSC-8728, DTXCID00533, CHEBI:47032, NSC8728, 1,4 Diethylene Ether, RefChem:73331, CHEBI:46923, 204-661-8, NSC 8728, MFCD00006571, 1.4-dioxane, UN 1165, Dioksan [Polish], 1,4-Dioxane, HPLC Grade, Dioxanne [French], 28552-22-9, p-Dioxan [Czech], [1,4]dioxane, 1, 4-dioxane, Dioxaan-1,4 [Dutch], Dioxan-1,4 [German], 1,4-Dioxanne [French], Diossano-1,4 [Italian], HSDB 81, CCRIS 269, 1,4-Dioxane, ACS reagent, >=99.0%, 1,4-Diethylenedioxide, EINECS 204-661-8, UN1165, RCRA waste no. U108, 1,4-Dioxin, tetrahydro-, BRN 0102551, paradioxane, UNII-J8A3S10O7S, AI3-01055, 1,4dioxane, 1,4dioxan, 1,4 dioxane, 1-4-dioxane, 1,4 dioxan, 1-4 Dioxane, 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.], SCHEMBL284, WLN: T6O DOTJ, EC 204-661-8, 1,4-Dioxane, for HPLC, SCHEMBL3300, 1,4-Dioxane, ACS Grade, 5-19-01-00016 (Beilstein Handbook Reference), BIDD:ER0341, SCHEMBL103660, SCHEMBL319949, 1,4-DIOXANE [HSDB], 1,4-DIOXANE [IARC], CHEMBL453716, SCHEMBL1781824, SCHEMBL1827137, SCHEMBL9836999, 1,4-Dioxane, SAJ first grade, 1,4-DIOXANE [USP-RS], 1,4-Dioxane, analytical standard, 1,4-Dioxane, p.a., 99%, 1,4-Dioxane, LR, >=99%, 1,4-Dioxane, anhydrous, 99.8%, Tox21_200971, 1,4-Dioxane (stabilized with BHT), MSK000164, STL264191, 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%, DB-025338, DB-230253, D0860, NS00002649, 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%, G77288, 1,4-Dioxane, anhydrous, ZerO2(TM), 99.8%, F044719, Q161532, BRD-K42978307-001-01-0, InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H, F0001-0372, 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), Residual Solvent Class 2 - 1,4-Dioxane, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C4H8O2
molecular_weight: 88.11 g/mol
exact_mass: 88.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 6
topological_polar_surface_area: 18.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid or solid (below 53 degrees F)
color: Colorless liquid or solid (below 53 degrees F)
odor: Faint pleasant odor
boiling_point: 214 °F at 760 mmHg (NTP, 1992)
melting_point: 53.2 °F (NTP, 1992)
density: 1.036 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
flash_point: 54 °F (NTP, 1992)
vapor_pressure: 29 mmHg at 68 °F ; 37 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: 1,4-Dioxane can cause cancer according to an independent committee of scientific and health experts.
chebi: A dioxane with oxygen atoms at positions 1 and 4.
chembl: DIOXANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,4-Dioxane () is a heterocyclic organic compound, classified as an ether. It is a colorless liquid with a faint sweet odor similar to that of diethyl ether. The compound is often called simply dioxane because the other dioxane isomers (1,2- and 1,3-) are rarely encountered. 
1,4-Dioxane is miscible in water, essentially nonvolatile when dissolved in water, not well adsorbed by activated carbon, and not readily oxidized by common oxidants.
Dioxane is used as a solvent in manufacturing applications, and as a stabilizer for the transport of chlorinated hydrocarbons in aluminium containers. It is a highly flammable substance that produces toxic vapors when heated.
Although it is a trace material in commonly used products, such as cosmetics, dioxane is considered a hazardous contaminant and potential carcinogen in many countries, requiring government monitoring of amounts used in manufacturing and its presence in air, drinking water, and ecosystems.