1,4-Dioxane
PubChem CID: 31275
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| Compound Synonyms | 1,4-DIOXANE, 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, 1,4-Dioxan, Diethylene oxide, Diethylene dioxide, Glycol ethylene ether, Dioxan-1,4, para-Dioxane, p-Dioxan, Tetrahydro-para-dioxin, Dioxyethylene ether, Diokan, Dioksan, Glycolethylenether, 1,4-Dioxanne, Diossano-1,4, Dioxaan-1,4, 1, 4-dioxane, 1,4-Diethyleneoxide, p-Dioxin, tetrahydro-, Dioxane, technical grade, 1,4-Dioxanne [French], RCRA waste number U108, NCI-C03689, NSC 8728, HSDB 81, CCRIS 269, paradioxane, 1,4-Diethylenedioxide, EINECS 204-661-8, UNII-J8A3S10O7S, MFCD00006571, NE 220, UN1165, 1,4 dioxane, 1.4-dioxane, UN 1165, 1-4 Dioxane, BRN 0102551, DTXSID4020533, CHEBI:47032, AI3-01055, Glycol ethylene ether 8, NSC-8728, DIOXANE [MI], DIOXAN [MART.], 1,4-Dioxin, tetrahydro-, DTXCID00533, 1,4-DIOXANE [HSDB], 1,4-DIOXANE [IARC], J8A3S10O7S, 1,4-DIOXANE [USP-RS], NSC8728, EC 204-661-8, 5-19-01-00016 (Beilstein Handbook Reference), DIOXAN (MART.), Dioksan [Polish], 1,4-Dioxane, HPLC Grade, Dioxanne [French], p-Dioxan [Czech], 1,4-DIOXANE (IARC), [1,4]dioxane, 1,4-DIOXANE (USP-RS), Dioxaan-1,4 [Dutch], Dioxan-1,4 [German], Diossano-1,4 [Italian], 28552-22-9, 1,4-Dioxane, ACS reagent, >=99.0%, 1, 4-Diethylene dioxide, RCRA waste no. U108, pDioxan, Ethylene glycol ethylene ether, Glykolethylether, para-dioxan, Tetrahydropdioxin, 1,4dioxane, Tetrahydroparadioxin, 1,4Dioxanne, Diossano1,4, 1,4dioxan, pDioxin, tetrahydro, Dioxaan1,4, Dioxane1,4, 1,4dioxacyclohexane, 1-4-dioxane, Tetrahydro-p-dioxane, Tetrahydro1,4dioxin, Dioxan1,4, 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, 1,4Diethylene dioxide, 1,4 Diethylene Ether, Tetrahydro-1,4-dioxan, 1,4-Dioxane, anhydrous, Dioxane (ACGIH:OSHA), WLN: T6O DOTJ, 1,4-Dioxane, for HPLC, 1,4-Dioxane, ACS Grade, BIDD:ER0341, CHEMBL453716, 1,4-Dioxane, SAJ first grade, CHEBI:46923, DTXSID80196672, 1,4-Dioxane, analytical standard, 1,4-Dioxane, p.a., 99%, 1,4-Dioxane, LR, >=99%, BCP16201, 1,4-Dioxane, anhydrous, 99.8%, Tox21_200971, 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%, 1ST000164, 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%, Q161532, BRD-K42978307-001-01-0, 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 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 26.5 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dioxane |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C4H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYHBNJHYFVUHQT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.987 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.264 |
| Compound Name | 1,4-Dioxane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0524 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0524 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 88.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2161572 |
| Inchi | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
| Smiles | C1COCCO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all