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Revision as of 09:31, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464224144 of page Epigallocatechin_gallate for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 09:31, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464222491 of page Diethyl_ether 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
			\| Watchedfields = changed
	\| verifiedrevid = ~~443729460~~		\| verifiedrevid = 443637037
	\|ImageFile=Epigallocatechin gallate structure.svg
			\| Name = Diethyl ether
	\|ImageSize=
			\| ImageFile1 = Diethyl-ether-2D-skeletal.svg
	\|PIN=(2''R'',3''R'')-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2''H''-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
			\| ImageSize1 = 200px
	\|IUPACName= 3,4,5-trihydroxybenzoate
			\| ImageName1 = Skeletal formula
	\|OtherNames=(-)-Epigallocatechin gallate
			\| ImageFile2 = Diethyl-ether-3D-balls.png
⚫	\|Section1= {{Chembox Identifiers
			\| ImageSize2 = 200px
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ImageName2 = Ball-and-stick model
⚫	\| ChemSpiderID = ~~58575~~
			\| IUPACName = Ethoxyethane
	\| InChI = 1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
			\| OtherNames = Diethyl ether; Ethyl ether; Ethyl oxide; 3-Oxapentane; Ethoxyethane
	\| InChIKey = WMBWREPUVVBILR-WIYYLYMNBM
		⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 35702
			\| SMILES = CCOCC
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 0F5N573A2Y
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D01772
			\| InChI = 1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
			\| InChIKey = RTZKZFJDLAIYFH-UHFFFAOYAB
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~297453~~		\| ChEMBL = 16264
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
	\| StdInChI = 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~WMBWREPUVVBILR~~-~~WIYYLYMNSA~~-N		\| StdInChIKey = RTZKZFJDLAIYFH-UHFFFAOYSA-N
			\| CASNo = 60-29-7
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|??}}
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = <!-- blanked - oldvalue: 989-51-5 -->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| PubChem=65064
		⚫	\| ChemSpiderID = 3168
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ = ~~4806~~		\| PubChem = 3283
			\| RTECS = KI5775000
	\| SMILES = O=C(O2Cc3c(O2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4
	\| MeSHName=Epigallocatechin+gallate
	}}		}}
	\|Section2= {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| C=22\|H=18\|O=11		\| C=4\|H=10\|O=1
	\| ~~MolarMass~~ = ~~458.372~~ ~~g/mol~~		\| Appearance = Colorless liquid
			\| Density = 0.7134 g/cm<sup>3</sup>, liquid
	\| ExactMass = 458.084911
			\| Solubility = 69 g/L (20 °C)
	\| Appearance=''
			\| MeltingPt = −116.3 °C, 156.9 K, −177.3 °F
	\| Density=
			\| BoilingPt = 34.6 °C, 307.8 K, 94.3 °F
	\| MeltingPt=
			\| RefractIndex = 1.353 (20 °C)
	\| BoilingPt=
			\| pKa =
	\| Solubility=soluble<ref name="chemicalland21.com">http://chemicalland21.com/lifescience/foco/%28-%29-EPIGALLOCATECHIN%20GALLATE.htm</ref>
			\| pKb =
	\| SolubleOther=soluble in ethanol, DMSO, dimethyl formamide<ref name="chemicalland21.com"/> at about 20 g/l <ref>http://www.caymanchem.com/pdfs/70935.pdf</ref>
			\| Viscosity = 0.224 ] (25 °C)
	}}		}}
⚫	\|~~Section3~~= {{Chembox Hazards
			\| Section3 = {{Chembox Structure
	\| MainHazards=
	\| ~~FlashPt~~=		\| MolShape =
			\| Dipole = 1.15 ] (gas)
	\| Autoignition=
			}}
		⚫	\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| MainHazards = Extremely Flammable (F+),<br> Harmful (Xn)
			\| NFPA-H = 2
			\| NFPA-F = 4
			\| NFPA-R = 1
			\| Autoignition = 160 °C<ref name="MSDS">{{cite web \| url = http://hazard.com/msds/mf/baker/baker/files/e2340.htm \| title = Ethyl Ether MSDS \| publisher = J.T. Baker \| accessdate = 2010-06-24}}</ref>
			\| FlashPt = −45 °C<ref name="MSDS"/>
			\| RPhrases = {{R12}} {{R19}} {{R20}} {{R22}} {{R66}} {{R67}}
			\| SPhrases = {{S9}} {{S16}} {{S29}} {{S33}}
			}}
			\| Section8 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]<br>]
			\| OtherCpds = ]<br>]s (])
	}}		}}
	}}		}}

Revision as of 09:31, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464222491 of page Diethyl_ether with values updated to verified values.

Diethyl ether
Names


IUPAC name Ethoxyethane
Other names Diethyl ether; Ethyl ether; Ethyl oxide; 3-Oxapentane; Ethoxyethane
Identifiers
CAS Number	60-29-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:35702
ChEMBL	ChEMBL16264
ChemSpider	3168
KEGG	D01772
PubChem CID	3283
RTECS number	KI5775000
UNII	0F5N573A2Y
InChI InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3Key: RTZKZFJDLAIYFH-UHFFFAOYAB
SMILES CCOCC
Properties
Chemical formula	C₄H₁₀O
Molar mass	74.123 g·mol
Appearance	Colorless liquid
Density	0.7134 g/cm, liquid
Melting point	−116.3 °C, 156.9 K, −177.3 °F
Boiling point	34.6 °C, 307.8 K, 94.3 °F
Solubility in water	69 g/L (20 °C)
Refractive index (n_D)	1.353 (20 °C)
Viscosity	0.224 cP (25 °C)
Structure
Dipole moment	1.15 D (gas)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Extremely Flammable (F+), Harmful (Xn)
NFPA 704 (fire diamond)	2 4 1
Flash point	−45 °C
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

^ "Ethyl Ether MSDS". J.T. Baker. Retrieved 2010-06-24.