Misplaced Pages

:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions - Misplaced Pages

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively← Previous editNext edit →Content deleted Content addedVisualWikitext
Revision as of 17:18, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465214385 of page 2-Ethylanthraquinone for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:19, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473857093 of page 2-Ethylhexanol for the Chem/Drugbox validation project (updated: 'KEGG').Next edit →
Line 1: Line 1:
{{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
| Watchedfields = changed | Watchedfields = changed
| verifiedrevid = 413109678 | verifiedrevid = 443314137
| ImageFile = 2-ethylhexanol-Line-Structure.svg
| Name = 2-Ethylanthraquinone
⚫ | ImageSize = 160
| ImageFile = 2-Ethylanthraquinone.svg
| ImageName = Structural formula of 2-Ethylanthraquinone | ImageName = Skeletal formula of 2-ethylhexanol
| PIN = 2-Ethyl-1-hexanol{{Citation needed|date=January 2012}}
⚫ | ImageSize = 250px
| SystematicName = 2-Ethylhexan-1-ol<ref>{{Cite web|title=2-ethylhexanol - Compound Summary|url=http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7720|work=PubChem Compound|publisher=National Center for Biotechnology Information|accessdate=29 January 2012|location=USA|date=16 September 2005|at=Identification and Related Records}}</ref>
| ImageFile1 = 2-Ethylanthraquinone-3D-balls.png
| OtherNames = {{Unbulleted list|2-Ethylhexyl alcohol{{Citation needed|date=January 2012}}|Isooctanol{{Citation needed|date=January 2012}}|Isooctyl alcohol{{Citation needed|date=January 2012}}|Oxooctyl alcohol{{Citation needed|date=January 2012}}
| ImageName1 = Ball-and-stick model
⚫ }}
| ImageSize1 = 230px
| OtherNames = 2-Ethyl-9,10-anthracenedione
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 104-76-7
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| CASNo_Ref = {{cascite|correct|CAS}}
⚫ | ChemSpiderID = 6514
| PubChem = 7720
| InChI = 1/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
| PubChem_Ref = {{Pubchemcite|corrcet|Pubchem}}
| InChIKey = SJEBAWHUJDUKQK-UHFFFAOYAW
| PubChem1 = 6991979
| SMILES = O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC
| ChEMBL_Ref = {{ebicite|correct|EBI}} | PubChem1_Ref = {{Pubchemcite|correct|Pubchem}}
| PubChem1_Comment = <small>''R''</small>
⚫ | ChEMBL = 42355
| PubChem2 = 6991980
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| PubChem2_Ref = {{Pubchemcite|correct|Pubchem}}
| StdInChI = 1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
| PubChem2_Comment = <small>''S''</small>
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | ChemSpiderID = 7434
⚫ | StdInChIKey = SJEBAWHUJDUKQK-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|??}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1 = 5360145
⚫ | CASNo = <!-- blanked - oldvalue: 84-51-5 -->
⚫ | ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
⚫ | EINECS = 201-535-4
| ChemSpiderID1_Comment = <small>''R''</small>
⚫ }}
| ChemSpiderID2 = 5360146
| ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID2_Comment = <small>''S''</small>
| UNII = XZV7TAA77P
| UNII_Ref = {{fdacite|correct|FDA}}
⚫ | EINECS = 203-234-3
⚫ | KEGG = <!-- blanked - oldvalue: C02498 -->
| KEGG_Ref = {{keggcite|correct|kegg}}
| MeSHName = 2-ethylhexanol
| ChEBI = 16011
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 31637
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL1 = 1229918
| ChEMBL1_Ref = {{ebicite|correct|EBI}}
| Beilstein = 1719280
| SMILES = CCCCC(CC)CO
| StdInChI = 1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = YIWUKEYIRIRTPP-UHFFFAOYSA-N
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 8
| Formula = C<sub>16</sub>H<sub>12</sub>O<sub>2</sub>
| MolarMass = 236.27 g/mol | H = 18
| MeltingPtC = 105 | O = 1
| ExactMass = 130.135765198 g mol<sup>−1</sup>
| BoilingPt = 415.4 @ 760mmHg
| Density = 1.231g/cm3 | Density = 833 mg mL<sup>−1</sup>
| Appearance = white to yellowish crystals or powder | Appearance = Colourless, transparent liquid
| MeltingPtC = −76
⚫ }}
| BoilingPtKL = 453
⚫ | Section7 = {{Chembox Hazards
| BoilingPtKH = 459
⚫ | SPhrases = {{S24}} {{S25}}
| FlashPt = 155.4&nbsp;°C, | LogP = 2.721
| VaporPressure = 30 Pa (at 20 °C)
| RefractIndex = 1.431
}}
| Section3 = {{Chembox Thermochemistry
| DeltaHf = −433.67–−432.09 kJ mol<sup>−1</sup>
| DeltaHc = −5.28857–−5.28699 MJ mol<sup>−1</sup>
| Entropy = 347.0 J K<sup>−1</sup> mol<sup>−1</sup>
| HeatCapacity = 317.5J K<sup>−1</sup> mol<sup>−1</sup>
}}
⚫ | Section4 = {{Chembox Hazards
| GHSPictograms = {{GHS corrosion}}{{GHS exclamation mark}}
| GHSSignalWord = '''DANGER'''
| HPhrases = {{H-phrases|312|315|318|335}}
| PPhrases = {{P-phrases|261|280|305+351+338}}
| EUClass = {{Hazchem Xn}}
| RPhrases = {{R21}}, {{R37/38}}, {{R41}}, {{R52/53}}
⚫ | SPhrases = {{S26}}, {{S36/37/39}}
| FlashPt = 81 °C
| ExploLimits = 0.88–9.7%
| LD50 = {{Unbulleted list|1.97 g kg<sup>−1</sup> (dermal, rabbit)|3.73 g kg<sup>−1</sup> (oral, rat)}}
}}
| Section5 = {{Chembox Related
| Function = alkanols
| OtherFunctn = {{Unbulleted list|]|]}}
}} }}
}} }}

Revision as of 17:19, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473857093 of page 2-Ethylhexanol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of 2-ethylhexanol
Names
Preferred IUPAC name 2-Ethyl-1-hexanol
Systematic IUPAC name 2-Ethylhexan-1-ol
Other names
  • 2-Ethylhexyl alcohol
  • Isooctanol
  • Isooctyl alcohol
  • Oxooctyl alcohol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1719280
ChEBI
ChEMBL
ChemSpider
EC Number
  • 203-234-3
MeSH 2-ethylhexanol
PubChem CID
UNII
InChI
  • InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N
SMILES
  • CCCCC(CC)CO
Properties
Chemical formula C8H18O
Molar mass 130.231 g·mol
Appearance Colourless, transparent liquid
Density 833 mg mL
Melting point −76 °C (−105 °F; 197 K)
log P 2.721
Vapor pressure 30 Pa (at 20 °C)
Refractive index (nD) 1.431
Thermochemistry
Heat capacity (C) 317.5J K mol
Std molar
entropy (S298) 		347.0 J K mol
Std enthalpy of
formation (ΔfH298) 		−433.67–−432.09 kJ mol
Std enthalpy of
combustion (ΔcH298) 		−5.28857–−5.28699 MJ mol
Hazards
GHS labelling:
Pictograms GHS05: CorrosiveGHS07: Exclamation mark
Signal word Danger
Hazard statements H312, H315, H318, H335
Precautionary statements P261, P280, P305+P351+P338
Flash point 81 °C
Explosive limits 0.88–9.7%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
  • 1.97 g kg (dermal, rabbit)
  • 3.73 g kg (oral, rat)
Related compounds
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
  1. "2-ethylhexanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2005. Identification and Related Records. Retrieved 29 January 2012.