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Revision as of 11:41, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464352380 of page Prenol for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 11:43, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464373958 of page Allose for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CASNo').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
| Verifiedfields = changed
| verifiedrevid = 464213986 | verifiedrevid = 457806181
| Name = Prenol
| Reference = <ref>{{Merck11th}}</ref>
| ImageFile1 = prenol structure.png
| ImageFile = Allose.png
| ImageSize1 = 160px
| ImageSize = 200px
| ImageName1 = Skeletal formula of prenol
| ImageName = Stereo structural formula of (6R)-allopyranose
| ImageFile2 = Prenol-3D-balls.png
| ImageSize2 = 180px | PIN = Allose
| SystematicName = (2''R'',3''R'',4''R'')-2,3,4,5,6-Pentahydroxyhexanal
| ImageName2 = Ball-and-stick model
| IUPACName = 3-Methyl-2-buten-1-ol
| OtherNames= 3,3-Dimethylallyl alcohol
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = <!-- blanked - oldvalue: 2595-97-3 -->
| InChI = 1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
| CASNo_Comment = (D)
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| CASNo_Ref = {{cascite|changed|??}}
| StdInChI = 1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
| CASNo1 = 7635-11-2
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| CASNo1_Comment = (L)
⚫ | StdInChIKey = ASUAYTHWZCLXAN-UHFFFAOYSA-N
| CASNo1_Ref = {{cascite|??|??}}
| CASNo = 556-82-1
| CASNo_Ref = {{cascite|correct|CAS}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 92408
| EC-number = 209-141-4
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 10700
| PubChem = 11173
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 55MY0HM445
| ChEBI_Ref = {{ebicite|correct|EBI}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 16019 | ChEBI = 40822
| SMILES = OC\C=C(/C)C | SMILES = OCC(O)(O)(O)(O)C=O
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
⚫ | StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
⚫ | StdInChIKey = GZCGUPFRVQAUEE-BGPJRJDNSA-N
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 6
| Reference = <ref name="SIDS">{{SIDS-ref|id=556821|name=3-Methyl-2-buten-1-ol|date=May 2005}}.</ref>
| H = 12
| Formula = C<sub>5</sub>H<sub>10</sub>O
| MolarMass = 86.132 g/mol | O = 6
| Density = 0.848 g/cm<sup>3</sup> | ExactMass = 180.063388116 g mol<sup>-1</sup>
| MeltingPtC = 128}}
| MeltingPt = −59 °C (calculated)
| BoilingPt = approx. 142 °C
| Solubility = 17 g/100 ml (20 ºC)
| VaporPress = 3.17 hPa (25 ºC, extrapolated)
| LogP = 0.91
}}
| Section7 = {{Chembox Hazards
| Reference = <ref name="SIDS"/><ref>{{citation | title = HSNO Chemical Classification Information Database | url = http://www.ermanz.govt.nz/Chemicals/ChemicalDisplay.aspx?SubstanceID=13093 | publisher = New Zealand Environmental Risk Management Agency | accessdate = 2009-08-31}}.</ref>
| EUIndex = not listed
| GHSPictograms = {{GHS flame|Flam. Liq. 3}}{{GHS exclamation mark|Acte Tox. (oral) 4}}
| GHSSignalWord = WARNING
| HPhrases = {{H-phrases|226|302}}
| PPhrases = {{P-phrases|210|233|240|241|242|243|264|270 |301+312|303+361+353|330|370+378 |403+235|501}}
| FlashPt = 43.3 ºC (110 ºF)<ref group="note">BASF gives a value for the flash point of prenol of 51.5&nbsp;ºC (125&nbsp;ºF), which is used in the OECD Screening Information Data Set (SIDS): the difference in the two values does not alter the safety classification of prenol as a category&nbsp;3 flammable liquid (]) or class&nbsp;II combustible liquid (U.S., 29&nbsp;C.F.R §&nbsp;1910.106, ]).</ref>
}}
}} }}

Revision as of 11:43, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464373958 of page Allose with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo structural formula of (6R)-allopyranose
Names
Preferred IUPAC name Allose
Systematic IUPAC name (2R,3R,4R)-2,3,4,5,6-Pentahydroxyhexanal
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
InChI
  • InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1Key: GZCGUPFRVQAUEE-BGPJRJDNSA-N
SMILES
  • OCC(O)(O)(O)(O)C=O
Properties
Chemical formula C6H12O6
Molar mass 180.156 g·mol
Melting point 128 °C (262 °F; 401 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (11th ed.). Merck. 1989. ISBN 091191028X.