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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 19:57, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 473754783 of page Acetylacetone for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 19:57, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 473754783 of page Acetylacetone for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 473754783 of page Acetylacetone with values updated to verified values.

{{chembox | verifiedrevid = 443366220 | ImageFile = AcacH.png | ImageSize = 260px | ImageName = Skeletal structures of both tautomers | ImageFileL1 = Acetylacetone-enol-3D-balls.png | ImageSizeL1 = 130px | ImageNameL1 = Ball-and-stick model of the enol tautomer | ImageFileR1 = Acetylacetone-keto-3D-balls.png | ImageSizeR1 = 130px | ImageNameR1 = Ball-and-stick model of the keto tautomer |IUPACName=Pentane-2,4-dione |OtherNames=Hacac |Section1=! colspan=2 style="background: #f8eaba; text-align: center;" |Identifiers

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CAS Number

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3D model (JSmol)

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| ChEBI

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|- | ChEMBL

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|- | ChemSpider

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| KEGG

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| UNII

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| colspan="2" |

InChI
  • InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3Key: YRKCREAYFQTBPV-UHFFFAOYSA-N
  • InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3Key: YRKCREAYFQTBPV-UHFFFAOYAO

|-

| colspan="2" |

SMILES
  • O=C(C)CC(=O)C
  • CC(=O)CC(=O)C

|- |Section4=! colspan=2 style="background: #f8eaba; text-align: center;" |Properties

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Chemical formula

| C5H8O2

|- | Molar mass

| 100.13 g/mol

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| Density | 0.98 g/mL |- | Melting point | −23 °C

|- | Boiling point | 140 °C

|-


|

Solubility in water

| 16 g/100 mL |- |Section15=! colspan=2 style="background: #f8eaba; text-align: center;" |Hazards

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| NFPA 704 (fire diamond)

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NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 2 0

|- | Flash point | 34 °C

|-

| Explosive limits | 2.4–11.6% |- }

  1. ^ Evan's pKa table