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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 469149157 of page Tert-Butanol for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 12:26, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465247775 of page Tert-Butyl_acetate 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		\| Watchedfields = changed
	\| verifiedrevid = ~~412515677~~		\| verifiedrevid = 402682613
	\| Name = ''tert''-~~Butanol~~		\| Name = ''tert''-Butyl acetate
	\| ~~ImageFileL1~~ = ~~Tert~~-~~butanol-2D-skeletal~~.png		\| ImageFile = T-butyl acetate.png
			\| ImageSize = 150px
	\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
			\| ImageName = Tert-butyl acetate
	\| ImageSizeL1 = 111
			\| OtherNames = acetic acid ''tert''-butyl ester;<br />''t''-butyl acetate
	\| 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~~		\| SMILES = O=C(OC(C)(C)C)C
	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~PubChem~~ = ~~6386~~		\| ChemSpiderID = 10446
			\| PubChem = 10908
	\| PubChem_Ref = {{PubChem\|correct\|Pubchem}}
			\| InChI = 1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
	\| ChemSpiderID = 6146
			\| InChIKey = WMOVHXAZOJBABW-UHFFFAOYAQ
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
	\| UNII = MD83SFE959
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| EINECS = 200-889-7
			\| StdInChIKey = WMOVHXAZOJBABW-UHFFFAOYSA-N
	\| UNNumber = 1120
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| DrugBank = DB03900
			\| CASNo = 540-88-5
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
			}}
	\| MeSHName = tert-Butyl+Alcohol
	\| ChEBI = 45895
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEMBL = 16502
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| 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
			\| Formula = C<sub>6</sub>H<sub>12</sub>O<sub>2</sub>
	\| C = 4
	\| H = 10		\| MolarMass = 116.16 g/mol
			\| Appearance = Colourless liquid with fruity odour
	\| O = 1
	\| ~~ExactMass~~ = 74.~~073164942~~ g ~~mol~~<sup>−1</sup>		\| Density = 0.866 g/cm<sup>3</sup>, liquid
			\| Solubility = 0.8 wt% at 22 °C
	\| Density = 780.9 mg cm<sup>−3</sup>
			\| MeltingPt =
	\| Appearance = Colorless liquid
			\| BoilingPt = 97–98 °C (370–371 K, 207–208 °F)
	\| Odor = Camphorous
	\| ~~MeltingPtKL~~ = ~~298~~		\| Viscosity =
			}}
	\| MeltingPtKH = 299
			\| Section3 = {{Chembox Structure
	\| BoilingPtKL = 355
	\| ~~BoilingPtKH~~ = ~~356~~		\| MolShape =
	\| ~~LogP~~ = ~~0.584~~		\| Dipole =
			}}
	\| VaporPressure = 4.1 kPa (at 20 °C)
			\| Section7 = {{Chembox Hazards
	\| RefractIndex = 1.387
			\| ExternalMSDS =
	}}
			\| MainHazards = Flammable
	\| Section3 = {{Chembox Thermochemistry
			}}
	\| DeltaHf = −360.04–−358.36 kJ mol<sup>−1</sup>
	\| DeltaHc = −2.64479–−2.64321 MJ mol<sup>−1</sup>
	\| Entropy = 189.5 J K<sup>−1</sup> mol<sup>−1</sup>
	\| HeatCapacity = 215.37 J K<sup>−1</sup> mol<sup>−1</sup>
	}}
	\| Section4 = {{Chembox Hazards
	\| ExternalMSDS =
	\| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
	\| GHSSignalWord = '''DANGER'''
	\| HPhrases = {{H-phrases\|225\|319\|332\|335}}
	\| PPhrases = {{P-phrases\|210\|261\|305+351+338}}
	\| EUIndex = 603-005-00-1
	\| EUClass = {{Hazchem F}} {{Hazchem Xn}}
	\| RPhrases = {{R11}}, {{R20}}, {{R36/37}}
	\| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S46}}
	\| NFPA-H = 1
	\| NFPA-F = 3
	\| NFPA-R = 0
	\| FlashPt = 11 °C
	\| Autoignition = 480 °C
	\| ExploLimits = 2.4–8.0%
	}}
	\| Section5 = {{Chembox Related
	\| Function = ]s
	\| OtherFunctn = ]<br />
	]<br />
	]<br />
	\| OtherCpds = ]
	}}
	}}		}}

Revision as of 12:26, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465247775 of page Tert-Butyl_acetate with values updated to verified values.

*tert*-Butyl acetate
Names

Other names acetic acid tert-butyl ester; t-butyl acetate
Identifiers
CAS Number	540-88-5
3D model (JSmol)	Interactive image
ChemSpider	10446
PubChem CID	10908
InChI InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3Key: WMOVHXAZOJBABW-UHFFFAOYSA-N InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3Key: WMOVHXAZOJBABW-UHFFFAOYAQ
SMILES O=C(OC(C)(C)C)C
Properties
Chemical formula	C₆H₁₂O₂
Molar mass	116.16 g/mol
Appearance	Colourless liquid with fruity odour
Density	0.866 g/cm, liquid
Boiling point	97–98 °C (370–371 K, 207–208 °F)
Solubility in water	0.8 wt% at 22 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Flammable
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound