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Revision as of 12:25, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469287998 of page Terpyridine for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 12:25, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469149157 of page Tert-Butanol 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 | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 414434763
| verifiedrevid = 412515677
| ImageFile = Terpyridine.svg
| Name = ''tert''-Butanol
| ImageSize =
| ImageFileL1 = Tert-butanol-2D-skeletal.png
| IUPACName = 2,6-bis(2-pyridyl)pyridine
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| OtherNames = tripyridyl
| ImageSizeL1 = 111
| ImageNameL1 = Skeletal formula of tert-butanol
| ImageFileR1 = Tert-butanol-3D-balls.png
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| ImageSizeR1 = 131
| ImageNameR1 = Ball and stick model of tert-butanol
| ImageFile3 = TBuOH_1133.jpg
| ImageFile3_Ref = {{chemboximage|correct|??}}
| ImageName3 = Sample of partially crystalised tert-butanol
| IUPACName = 2-Methylpropan-2-ol<ref>{{Cite web|title = tert-Butyl Alcohol - Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6386&loc=ec_rcs|work = PubChem Compound|publisher = National Cnter for Biotechnology Information|accessdate = 2 November 2011|location = USA|date = 26 March 2005|at = Identification and Related Records}}</ref>
| OtherNames = ''tert''-Butyl alcohol{{Citation needed|date = November 2011}}<br />
Dimethylethanol{{Citation needed|date = November 2011}}<br />
1,1-Dimethylethanol{{Citation needed|date = November 2011}}<br />
2-Methyl-2-propanol{{Citation needed|date = November 2011}}
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 75-65-0
| InChI = 1/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
| CASNo_Ref = {{cascite|correct|CAS}}
| InChIKey = DRGAZIDRYFYHIJ-UHFFFAOYAP
| PubChem = 6386
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| PubChem_Ref = {{PubChem|correct|Pubchem}}
| ChEMBL = 89445
| ChemSpiderID = 6146
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| StdInChI =1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = MD83SFE959
| StdInChIKey = DRGAZIDRYFYHIJ-UHFFFAOYSA-N
| EINECS = 200-889-7
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 1148-79-4 | UNNumber = 1120
| PubChem = 70848 | DrugBank = DB03900
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| MeSHName = tert-Butyl+Alcohol
| ChemSpiderID = 64012
| ChEBI_Ref = {{ebicite|changed|EBI}} | ChEBI = 45895
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 245199 | ChEMBL = 16502
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| SMILES = c1ccnc(c1)c2cccc(n2)c3ccccn3
| RTECS = EO1925000
}}
| Beilstein = 906698
| Gmelin = 1833
| SMILES = CC(C)(C)O
| StdInChI = 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DKGAVHZHDRPRBM-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=15 | H=11 | N=3 | C = 4
| H = 10
| Appearance = colourless solid
| Density = | O = 1
| ExactMass = 74.073164942 g mol<sup>−1</sup>
| MeltingPt = 88 °C
| Density = 780.9 mg cm<sup>−3</sup>
| BoilingPt = 370 °C<ref name="hand">
| Appearance = Colorless liquid
{{Citation
| last = Lide | Odor = Camphorous
| MeltingPtKL = 298
| first = David R.
| author-link = | MeltingPtKH = 299
| last2 = | BoilingPtKL = 355
| first2 = | BoilingPtKH = 356
| LogP = 0.584
| author2-link =
| VaporPressure = 4.1 kPa (at 20 °C)
| publication-date =
| RefractIndex = 1.387
| date =
}}
| year = 1998
| Section3 = {{Chembox Thermochemistry
| title = Handbook of Chemistry and Physics
| DeltaHf = −360.04–−358.36 kJ mol<sup>−1</sup>
| edition = 87
| DeltaHc = −2.64479–−2.64321 MJ mol<sup>−1</sup>
| volume =
| Entropy = 189.5 J K<sup>−1</sup> mol<sup>−1</sup>
| series =
| HeatCapacity = 215.37 J K<sup>−1</sup> mol<sup>−1</sup>
| publication-place = Boca Raton, FL
}}
| place =
| Section4 = {{Chembox Hazards
| publisher = CRC Press
| ExternalMSDS =
| id =
| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
| isbn = 0-8493-0594-2
| GHSSignalWord = '''DANGER'''
| doi =
| HPhrases = {{H-phrases|225|319|332|335}}
| oclc =
| PPhrases = {{P-phrases|210|261|305+351+338}}
| pages = 3–510
| EUIndex = 603-005-00-1
| url =
| EUClass = {{Hazchem F}} {{Hazchem Xn}}
| accessdate =
| RPhrases = {{R11}}, {{R20}}, {{R36/37}}
}}</ref>
| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S46}}
| Solubility =
| NFPA-H = 1
}}
| NFPA-F = 3
| Section3 = {{Chembox Hazards
| MainHazards = | NFPA-R = 0
| FlashPt = | FlashPt = 11 °C
| Autoignition = | Autoignition = 480 °C
| ExploLimits = 2.4–8.0%
}}
}}
| Section5 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />
]<br />
]<br />
| OtherCpds = ]
}}
}} }}

Revision as of 12:25, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 469149157 of page Tert-Butanol with values updated to verified values.
tert-Butanol
Skeletal formula of tert-butanol
Skeletal formula of tert-butanol
Ball and stick model of tert-butanol
Ball and stick model of tert-butanol
Sample of partially crystalised tert-butanol
Names
IUPAC name 2-Methylpropan-2-ol
Other names tert-Butyl alcohol

Dimethylethanol
1,1-Dimethylethanol

2-Methyl-2-propanol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 906698
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 200-889-7
Gmelin Reference 1833
MeSH tert-Butyl+Alcohol
PubChem CID
RTECS number
  • EO1925000
UNII
UN number 1120
InChI
  • InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N
SMILES
  • CC(C)(C)O
Properties
Chemical formula C4H10O
Molar mass 74.123 g·mol
Appearance Colorless liquid
Odor Camphorous
Density 780.9 mg cm
log P 0.584
Vapor pressure 4.1 kPa (at 20 °C)
Refractive index (nD) 1.387
Thermochemistry
Heat capacity (C) 215.37 J K mol
Std molar
entropy (S298) 		189.5 J K mol
Std enthalpy of
formation (ΔfH298) 		−360.04–−358.36 kJ mol
Std enthalpy of
combustion (ΔcH298) 		−2.64479–−2.64321 MJ mol
Hazards
GHS labelling:
Pictograms GHS02: Flammable GHS07: Exclamation mark
Signal word Danger
Hazard statements H225, H319, H332, H335
Precautionary statements P210, P261, P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 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
1 3 0
Flash point 11 °C
Explosive limits 2.4–8.0%
Related compounds
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. "tert-Butyl Alcohol - Compound Summary". PubChem Compound. USA: National Cnter for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 2 November 2011.