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Revision as of 16:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 452537634 of page 1,4-Dimethoxybenzene for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:29, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 477156123 of page 1,4-Dioxane for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
⚫ | verifiedrevid = 477004957
| Watchedfields = changed
| ImageFileL1 = 1-4-Dioxane.svg
⚫ | verifiedrevid = 449672816
| ImageNameL1 = Chemical structure of dioxane
| Name = 1,4-Dimethoxybenzene
| ImageSizeL1 = 90px
| ImageFile = P-Dimethoxybenzene.svg
| ImageFileR1 = 1,4-Dioxane-3D-balls.png
| ImageSize = 100px
| ImageSizeR1 = 130px
| IUPACName = 1,4-Dimethoxybenzene
| ImageNameR1 = 1,4-dioxane
| OtherNames = Hydroquinone dimethyl ether; ''p''-Methoxyanisole; 2-Benzimidazolinone; Dimethyl ether hydroquinone; USAF AN-9; Dimethylhydroquinone ether; Quinol dimethyl ether; ''p''-Dimethoxybenzene
| IUPACName = 1,4-Dioxane<br />1,4-Dioxacyclohexane
| OtherNames = Dioxane<br />''p''-Dioxane<br />-crown-2
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | SMILES = COc1ccc(OC)cc1
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChemSpiderID = 8666
| ChEBI = 47032
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
⚫ | ChemSpiderID = 29015
⚫ | UNII = 24WC6T6X0G
| CASNo_Ref = {{cascite}} | KEGG_Ref = {{keggcite|correct|kegg}}
| CASNo = 150-78-7 | KEGG = C14440
| InChI = 1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
| RTECS = CZ6650000
| InChIKey = RYHBNJHYFVUHQT-UHFFFAOYAN
⚫ }}
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 453716
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = RYHBNJHYFVUHQT-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 123-91-1
| EINECS = 204-661-8
| UNII_Ref = {{fdacite|correct|FDA}}
⚫ | UNII = J8A3S10O7S
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB03316
⚫ | SMILES = O1CCOCC1
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=8|H=10|O=2 | C = 4 | H = 8 | O = 2
| Appearance = White crystals | MeltingPtC = 11.8
| Solubility = Slightly soluble | BoilingPtC = 101.1
| MeltingPtCL = 53 | Density = 1.033 g/mL
| MeltingPtCH = 57 | Solubility = Miscible
| Melting_notes = <ref name=Aldrich> at ]</ref>
| BoilingPtC = 213
| Boiling_notes = <ref name=Aldrich/>
| Viscosity = 1.04 ] at 65 °C
| Density = 1.053 g/cm<sup>3</sup><ref name=Aldrich/>
}} }}
| Section3 = {{Chembox Structure | Section4 = {{Chembox Thermochemistry
| MolShape = Planar | DeltaHf = -354 kJ/mol
| DeltaHc = -2363 kJ/mol
| Entropy = 196.6 J&middot;K<sup>–1</sup>&middot;mol<sup>–1</sup>
}} }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| EUClass = Irritant ('''Xi''') | NFPA-H = 2
| NFPA-F = 3
⚫ | RPhrases = {{R36}} {{R37}} {{R38}}
| NFPA-R = 1
⚫ | SPhrases = {{S26}} {{S37}} {{S39}}
| EUClass = Flammable ('''F''')<br />]<br />Irritant ('''Xn''')
⚫ | FlashPt = {{convert|125|C|F}}
⚫ | RPhrases = {{R11}}, {{R19}}, {{R36/37}},<br />{{R40}}, {{R66}}
| Autoignition = {{convert|795|C|F}}<ref name=Aldrich/>
⚫ | SPhrases = {{S2}}, {{S9}}, {{S16}},<br />{{S36/37}}, {{S46}}
}}
⚫ | FlashPt = 12&nbsp;°C
| Section8 = {{Chembox Related
| Function = ]s, ]s
| OtherFunctn =
| OtherCpds =
}} }}
}} }}

Revision as of 16:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477156123 of page 1,4-Dioxane with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Chemical structure of dioxane
Chemical structure of dioxane
1,4-dioxane
1,4-dioxane
Names
IUPAC names 1,4-Dioxane
1,4-Dioxacyclohexane
Other names Dioxane
p-Dioxane
-crown-2
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 204-661-8
KEGG
UNII
InChI
  • InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N
  • InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2Key: RYHBNJHYFVUHQT-UHFFFAOYAN
SMILES
  • O1CCOCC1
Properties
Chemical formula C4H8O2
Molar mass 88.106 g·mol
Density 1.033 g/mL
Melting point 11.8 °C (53.2 °F; 284.9 K)
Boiling point 101.1 °C (214.0 °F; 374.2 K)
Solubility in water Miscible
Thermochemistry
Std molar
entropy (S298) 		196.6 J·K·mol
Std enthalpy of
formation (ΔfH298) 		-354 kJ/mol
Std enthalpy of
combustion (ΔcH298) 		-2363 kJ/mol
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazards (white): no code
2 3 1
Flash point 12 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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