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

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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 462373590 of page 2-Ethoxyethanol for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').← Previous edit		Revision as of 17:18, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473800123 of page 2-Ethyl-1-butanol for the Chem/Drugbox validation project (updated: 'CASNo').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
			\| Watchedfields = changed
	\| verifiedrevid = ~~456499332~~		\| verifiedrevid = 443347197
	\| Name = 2-Ethoxyethanol
			\| Reference = <ref name="hand">{{Citation\|last=Lide\|first=David R.\|year=1998\|title=Handbook of Chemistry and Physics\|edition=87\|publication-place=Boca Raton, FL\|publisher=CRC Press\|isbn=0-8493-0594-2\|pages=3-262, 8-106, 15-20}}</ref>
	\| ImageFile = 2-~~Ethoxyethanol2~~.~~svg~~		\| ImageFile = 2-ethyl-1-butanol.PNG
⚫	\| ImageSize = ~~200px~~
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageName = 2-Ethoxyethanol
		⚫	\| ImageSize = 160
	\| IUPACName = 2-ethoxyethanol
			\| ImageName = Skeletal formula of 2-ethyl-1-butanol with some implicit hydrogens shown
	\| OtherNames = Cellosolve<br />ethylene glycol ethyl ether<br />oxitol<br />Ethyl Cellosolve
			\| PIN = 2-Ethyl-1-butanol{{Citation needed\|date=January 2012}}
			\| SystematicName = 2-Ethylbutan-1-ol<ref>{{Cite web\|title=2-ethyl-1-butanol - Compound Summary\|url=http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7358&loc=ec_rcs\|work=PubChem Compound\|publisher=National Center for Biotechnology Information\|accessdate=28 January 2012\|location=USA\|date=26 March 2005\|at=Identification and Related Records}}</ref>
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| CASNo = <!-- blanked - oldvalue: 97-95-0 -->
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| DrugBank = DB02249
		⚫	\| PubChem = 7358
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
⚫	\| ~~ChEBI~~ = <!-- blanked - oldvalue: ~~46788~~ -->
		⚫	\| ChemSpiderID = 7080
⚫	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}
	\| KEGG = C14687
⚫	\| PubChem =
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| UNII = 28002VFS3H
⚫	\| ChemSpiderID = ~~7785~~
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| SMILES = ~~CCOCCO~~
			\| EINECS = 202-621-4
	\| InChI = 1/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
			\| UNNumber = 2275
	\| InChIKey = ZNQVEEAIQZEUHB-UHFFFAOYAD
		⚫	\| RTECS = EL3850000
			\| Beilstein = 1731254
		⚫	\| SMILES = CCC(CC)CO
			\| StdInChI = 1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChIKey = TZYRSLHNPKPEFV-UHFFFAOYSA-N
	\| StdInChI = <!-- blanked - oldvalue: 1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 -->
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	}}
	\| StdInChIKey = <!-- blanked - oldvalue: ZNQVEEAIQZEUHB-UHFFFAOYSA-N -->
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 119596 -->
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| UNII = ~~IDK7C2HS09~~
⚫	\| CASNo_Ref = {{cascite\|correct\|~~CAS~~}}
	\| CASNo = 110-80-5
⚫	\| RTECS = ~~KK8050000~~
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| ~~C=4\|H=10\|O~~=2		\| C = 6
	\| ~~Appearance~~ = ~~clear liquid~~		\| H = 14
		⚫	\| O = 1
⚫	\| Density = ~~0.930~~ ~~g/cm~~<sup>3</sup>~~, liquid~~
			\| ExactMass = 102.104465070 g mol<sup>−1</sup>
⚫	\| Solubility = ~~miscible~~
			\| Appearance = Colorless, transparent liquid
	\| MeltingPtC = -70
		⚫	\| Density = 830 mg mL<sup>−3</sup>
	\| BoilingPtC = 135
	\| ~~Viscosity~~ =		\| BoilingPtKL = 418
			\| BoilingPtKH = 424
⚫	}}
			\| MeltingPtK = 158.75
⚫	\| ~~Section7~~ = {{Chembox ~~Hazards~~
		⚫	\| Solubility = 10 g L<sup>−1</sup>
	\| ExternalMSDS =
	\| ~~MainHazards~~ =		\| VaporPressure = 206 Pa
	\| ~~NFPA-H~~ = 2		\| RefractIndex = 1.422
		⚫	}}
⚫	\| ~~NFPA-F~~ = 2
			\| Section3 = {{Chembox Thermochemistry
	\| NFPA-R =
			\| HeatCapacity = 246.65 J K<sup>−1</sup> mol<sup>−1</sup>
⚫	\| FlashPt = 44 °C
		⚫	}}
	\| RPhrases = {{R10}}, {{R20/21/22}},<br />{{R60}}, {{R61}}
	\| ~~SPhrases~~ = {{~~S53}},~~ ~~{{S45}}~~		\| Section4 = {{Chembox Hazards
			\| GHSPictograms = {{GHS exclamation mark}}
⚫	}}
			\| GHSSignalWord = '''WARNING'''
	\| Section8 = {{Chembox Related
			\| HPhrases = {{H-phrases\|302\|312}}
⚫	\| Function = ]s
			\| PPhrases = {{P-phrases\|280}}
	\| OtherFunctn = ]<br />]
			\| EUIndex = 603-051-00-2
	\| OtherCpds = ]
			\| EUClass = {{Hazchem Xn}}
⚫	}}
			\| RPhrases = {{R21/22}}
			\| SPhrases = {{S2}}, {{S36}}
		⚫	\| FlashPt = 58 °C
			\| LD50 = 1.85 g kg<sup>−1</sup> (oral, rat)
		⚫	}}
		⚫	\| Section5 = {{Chembox Related
		⚫	\| Function = alkanols
			\| OtherFunctn = ]
			}}
	}}		}}

Revision as of 17:18, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473800123 of page 2-Ethyl-1-butanol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Preferred IUPAC name 2-Ethyl-1-butanol
Systematic IUPAC name 2-Ethylbutan-1-ol
Identifiers
3D model (JSmol)	Interactive image
Beilstein Reference	1731254
ChemSpider	7080
EC Number	202-621-4
PubChem CID	7358
RTECS number	EL3850000
UNII	28002VFS3H
UN number	2275
InChI InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3Key: TZYRSLHNPKPEFV-UHFFFAOYSA-N
SMILES CCC(CC)CO
Properties
Chemical formula	C₆H₁₄O
Molar mass	102.177 g·mol
Appearance	Colorless, transparent liquid
Density	830 mg mL
Melting point	−114.40 °C; −173.92 °F; 158.75 K
Solubility in water	10 g L
Vapor pressure	206 Pa
Refractive index (n_D)	1.422
Thermochemistry
Heat capacity (C)	246.65 J K mol
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312
Precautionary statements	P280
Flash point	58 °C
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1.85 g kg (oral, rat)
Related compounds
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

Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 3–262, 8–106, 15–20, ISBN 0-8493-0594-2
"2-ethyl-1-butanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 28 January 2012.