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Revision as of 11:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477152544 of page Estriol for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 11:29, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477076563 of page Ethanol 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
| Verifiedfields = changed | Watchedfields = changed
| verifiedrevid = 389314288 | verifiedrevid = 407816911
| ImageFileL1 = Ethanol-2D-flat.png
| ImageFile1 = estriol.svg
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| ImageFile2 = Estriol-3D-model.png
| ImageSize = | ImageSizeL1 = 131
| ImageNameL1 = Full structural formula of ethanol
| IUPACName =
| ImageFileR1 = Ethanol-2D-skeletal.svg
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| ChEMBL = 193482
| OtherNames = | ImageSizeR1 = 111
| ImageNameR1 = Skeletal formula of ethanol
| ImageFileL2 = Ethanol-3D-balls.png
| ImageFileL2_Ref = {{chemboximage|correct|??}}
| ImageSizeL2 = 131
| ImageNameL2 = Ball-and-stick model of ethanol
| ImageFileR2 = Ethanol-3D-vdW.png
| ImageFileR2_Ref = {{chemboximage|correct|??}}
| ImageSizeR2 = 111
| ImageNameR2 = Space-filling model of ethanol
| SystematicName = Ethanol<ref name="Pubchem">{{cite web|title = Ethanol – Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=702|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>
| OtherNames = Absolute alcohol<br />
Alcohol <br />
Drinking alcohol<br />
Ethyl alcohol<br />
Ethyl hydrate<br />
Ethyl hydroxide<br />
Ethylic alcohol<br />
Ethylol<br />
Grain alcohol<br />
Hydroxyethane<br />
Methylcarbinol
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 64-17-5
| CASNo_Ref = {{cascite|correct|CAS}}
| PubChem = 702
| PubChem_Ref = {{Pubchemcite|correct|PubChem}}
| ChemSpiderID = 682
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| UNII = 3K9958V90M
| ChemSpiderID = 5553
| UNII_Ref = {{fdacite|correct|FDA}}
| InChI = 1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
| EINECS = 200-578-6
| InChIKey = PROQIPRRNZUXQM-ZXXIGWHRBN
| UNNumber = 1170
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChEMBL = 193482
| CASNo = 50-27-1 | DrugBank = DB00898
| KEGG = D00068
| CASNo_Ref = {{cascite|correct|CAS}}
| KEGG_Ref = {{keggcite|correct|kegg}}
| PubChem = 5756
| MeSHName = Ethanol
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| DrugBank = DB04573
| ChEBI = 16236
| UNII_Ref = {{fdacite|changed|FDA}}
| UNII = FB33469R8E | ChEMBL = 545
| ChEBI_Ref = {{ebicite|changed|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEBI = 27974 | RTECS = KQ6300000
| ATCCode_prefix = D01
| KEGG_Ref = {{keggcite|changed|kegg}}
| ATCCode_suffix = AE06
| KEGG = C05141
| ATC_Supplemental = {{ATC|D08|AX08}}, {{ATC|V03|AB16}}, {{ATC|V03|AZ01}}
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| Beilstein = 1718733
| StdInChI = 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
| Gmelin = 787
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| 3DMet = B01253
| StdInChIKey = PROQIPRRNZUXQM-ZXXIGWHRSA-N
| SMILES = CCO
| SMILES = Oc1cc3c(cc1)2CC4((O)(O)C42CC3)C
| StdInChI = 1S/C2H6O/c1-2-3/h3H,2H2,1H3
| MeSHName = Estriol
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
}}
| InChI = 1/C2H6O/c1-2-3/h3H,2H2,1H3
| StdInChIKey = LFQSCWFLJHTTHZ-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = LFQSCWFLJHTTHZ-UHFFFAOYAB}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 2
| Formula = C<sub>18</sub>H<sub>24</sub>O<sub>3</sub>
| MolarMass = 288.38 | H = 6
| Appearance = | O = 1
| ExactMass = 46.041864814 g mol<sup>−1</sup>
| Density =
| Appearance = Colorless liquid
| MeltingPt =
| Density = 0.789 g/cm<sup>3</sup>
| BoilingPt =
| MeltingPtC = −114
}}
| BoilingPtC = 78
| Section3 = {{Chembox Hazards
| Solubility = | LogP = -0.18
| VaporPressure = 5.95 kPa (at 20 °C)
| MainHazards =
| pKa = 15.9<ref>Ballinger, P., Long, F.A., ''J. Am. Chem. Soc.'', '''1960''', ''82'', 795.</ref>
| FlashPt =
| Autoignition = | pKb = -1.9
| RefractIndex = 1.36
}}
| Viscosity = 0.0012 Pa s (at 20 °C)
| Dipole = 1.69 D
}}
| Section3 = {{Chembox Pharmacology
| AdminRoutes = Intramuscular<br />
Intravenous<br />
Oral<br />
Topical
| Metabolism = Hepatic
| ] - Low-Moderate
}}
| Section4 = {{Chembox Hazards
| EUIndex = 603-002-00-5
| EUClass = {{Hazchem F}}
| RPhrases = {{R11}}
| SPhrases = {{S2}}, {{S7}}, {{S16}}
| NFPA-H = 2
| NFPA-F = 3
| NFPA-R = 0
| FlashPt = 13–14 °C
| Autoignition = 362 °C
| LD50 = 5628 mg kg<sup>−1</sup> (oral, rat)
}}
}} }}

Revision as of 11:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477076563 of page Ethanol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Full structural formula of ethanol
Full structural formula of ethanol
Skeletal formula of ethanol
Skeletal formula of ethanol
Ball-and-stick model of ethanol
Ball-and-stick model of ethanol
Space-filling model of ethanol
Space-filling model of ethanol
Names
Systematic IUPAC name Ethanol
Other names Absolute alcohol

Alcohol
Drinking alcohol
Ethyl alcohol
Ethyl hydrate
Ethyl hydroxide
Ethylic alcohol
Ethylol
Grain alcohol
Hydroxyethane

Methylcarbinol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1718733
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 200-578-6
Gmelin Reference 787
KEGG
MeSH Ethanol
PubChem CID
RTECS number
  • KQ6300000
UNII
UN number 1170
InChI
  • InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3Key: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
  • InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3Key: LFQSCWFLJHTTHZ-UHFFFAOYAB
SMILES
  • CCO
Properties
Chemical formula C2H6O
Molar mass 46.069 g·mol
Appearance Colorless liquid
Density 0.789 g/cm
Melting point −114 °C (−173 °F; 159 K)
Boiling point 78 °C (172 °F; 351 K)
log P -0.18
Vapor pressure 5.95 kPa (at 20 °C)
Acidity (pKa) 15.9
Basicity (pKb) -1.9
Refractive index (nD) 1.36
Viscosity 0.0012 Pa s (at 20 °C)
Dipole moment 1.69 D
Pharmacology
Routes of
administration 		Intramuscular

Intravenous
Oral
Topical

Pharmacokinetics:
Metabolism Hepatic
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 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 3 0
Flash point 13–14 °C
Lethal dose or concentration (LD, LC):
LD50 (median dose) 5628 mg kg (oral, rat)
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. "Ethanol – Compound Summary". The PubChem Project. USA: National Center for Biotechnology Information.
  2. Ballinger, P., Long, F.A., J. Am. Chem. Soc., 1960, 82, 795.