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Revision as of 12:54, 15 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472883278 of page Barium_sulfate for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 12:54, 15 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472881230 of page Butyric_acid 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 = 443670322
| Watchedfields = changed
| ImageFileL1 = Butyric acid acsv.svg
| verifiedrevid = 443637235
| ImageNameL1 = Skeletal structure
| ImageFile = Barium-sulfate-2D.png
| ImageSizeL1 = 120 px
| ImageSize = 225px
| ImageFileR1 = Butyric_acid_flat_structure.png
| ImageName = Chemical structure of barium sulfate
| ImageNameR1 = Flat structure
| ImageFileL2 = Barite-unit-cell-3D-vdW.png
| ImageSizeR1 = 120 px
| ImageSizeL2 = 120px
| ImageFile2 = Butyric-acid-3D-balls.png
| ImageNameL2 = 3D model of barium sulfate
| ImageName2 = Space filling model
| ImageFileR2 = Bariumsulfatpulver.png
| ImageSizeR2 = 120px | ImageSize2 = 200px
| IUPACName = | IUPACName = Butanoic acid
| OtherNames = Butyric acid; 1-Propanecarboxylic acid; Propanecarboxylic acid; C4:0 (])
| OtherNames =
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations =
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 25BB7EKE2E | UNII = 40UIR9Q29H
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChIKey = TZCXTZWJZNENPQ-NUQVWONBAD
| ChEMBL = 14227
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C00246
| InChI = 1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
| InChIKey = FERIUCNNQQJTOY-UHFFFAOYAP
| SMILES1 = CCCC(=O)O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 | StdInChI = 1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = TZCXTZWJZNENPQ-UHFFFAOYSA-L | StdInChIKey = FERIUCNNQQJTOY-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 7727-43-7
| CASNo=107-92-6
| CASNo_Ref = {{cascite|correct|CAS}}
| PubChem=264
| UNNumber=2820
| IUPHAR_ligand = 1059
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID=22823 | ChemSpiderID = 259
| EINECS =
| PubChem = 24414
| SMILES = .S()(=O)=O
| InChI = 1/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
| RTECS = CR060000
| MeSHName =
| ChEBI_Ref = {{ebicite|correct|EBI}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = | ChEBI = 30772
| KEGG_Ref = {{keggcite|correct|kegg}} | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| KEGG = | DrugBank = DB03568
| SMILES = O=C(O)CCC
| ATCCode_prefix = V08
| MeSHName=Butyric+acid
| ATCCode_suffix = BA01
}}
| ATC_Supplemental =}}
| Section2 = {{Chembox Properties | Section2= {{Chembox Properties
| C=4|H=8|O=2
| Formula = BaSO<sub>4</sub>
| Appearance=Colorless liquid
| MolarMass = 233.43 g/mol
| Density=0.9595 g/mL
| Appearance = white crystalline
| MeltingPtC=−7.9
| Odor = odorless
| BoilingPtC=163.5
| Density = 4.5 g/cm<sup>3</sup>
| Solubility=miscible
| MeltingPt = 1345 °C
| pKa = 4.82
| Melting_notes =
| BoilingPt = 1600 °C (decomp) | RefractIndex = 1.3980 (19 °C)
| Viscosity = 0.1529 c]
| Boiling_notes =
}}
| Solubility = 0.0002448 g/100 mL (20 °C) <br> 0.000285 g/100 mL (30 °C)
| Section3= {{Chembox Hazards
| SolubilityProduct = 1.0842 × 10<sup>-10</sup> (25 °C)
| EUClass={{Hazchem Xn}}{{Hazchem C}}
| SolubleOther = insoluble in ],<ref>{{cite book
| ExternalMSDS =
| title = CRC Handbook of Chemistry and Physics
| FlashPt={{convert|72|C|F}}
| publisher = CRC Press
| Autoignition={{convert|452|C|F}}
| date = 2004,85th Edition
| RPhrases = {{R20}} {{R21}} {{R22}} {{R34}} {{R36}} {{R37}} {{R38}}
| pages = 4–45
| isbn = 0-8493-0485-7}}</ref> soluble in concentrated ]
| Solvent =
| pKa =
| pKb =
| RefractIndex = 1.64
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf = −1465&nbsp;kJ·mol<sup>−1</sup><ref>{{cite book| author = Zumdahl, Steven S.|title =Chemical Principles 6th Ed.| publisher = Houghton Mifflin Company| year = 2009| isbn = 061894690X}}</ref>
| Entropy = 132&nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup><ref>{{cite book| author = Zumdahl, Steven S.|title =Chemical Principles 6th Ed.| publisher = Houghton Mifflin Company| year = 2009| isbn = 061894690X}}</ref>
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail = negligible orally
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section7 = {{Chembox Hazards
| EUClass = not listed
| EUIndex =
| MainHazards =
| NFPA-H = 0
| NFPA-F = 0
| NFPA-R = 0
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases = | RSPhrases =
| FlashPt = | RTECS = ES5425000
}}
| Autoignition =
| Section4 = {{Chembox Related
| ExploLimits =
| OtherAnions = ]
| PEL = }}
| Function = ]s
| OtherFunctn = ]<br />]<br />]<br />]<br />]<br />]<br />]<br />]
| OtherCpds = ]<br />]<br />]
}}
}} }}

Revision as of 12:54, 15 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 472881230 of page Butyric_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal structure
Skeletal structure
Flat structure
Flat structure
Space filling model
Names
IUPAC name Butanoic acid
Other names Butyric acid; 1-Propanecarboxylic acid; Propanecarboxylic acid; C4:0 (Lipid numbers)
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
IUPHAR/BPS
KEGG
MeSH Butyric+acid
PubChem CID
UNII
UN number 2820
InChI
  • InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)Key: FERIUCNNQQJTOY-UHFFFAOYSA-N
  • InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)Key: FERIUCNNQQJTOY-UHFFFAOYAP
SMILES
  • O=C(O)CCC
  • CCCC(=O)O
Properties
Chemical formula C4H8O2
Molar mass 88.106 g·mol
Appearance Colorless liquid
Density 0.9595 g/mL
Melting point −7.9 °C (17.8 °F; 265.2 K)
Boiling point 163.5 °C (326.3 °F; 436.6 K)
Solubility in water miscible
Acidity (pKa) 4.82
Refractive index (nD) 1.3980 (19 °C)
Viscosity 0.1529 cP
Hazards
Flash point 72 °C (162 °F)
Related compounds
Other anions butyrate
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