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

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Revision as of 04:44, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 451364369 of page Allyl_isothiocyanate for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 04:45, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 470174115 of page Allyl_hexanoate 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
		⚫	\| verifiedrevid = 429134081
	\| Watchedfields = changed
			\| ImageFile = Prop-2-enyl hexanoate.svg
⚫	\| verifiedrevid = ~~413309467~~
		⚫	\| ImageSize = 200px
	\| Name = Allyl isothiocyanate
			\| IUPACName = prop-2-enyl hexanoate
	\| ImageFile = Allyl-isothiocyanate-2D-skeletal.png
			\| OtherNames = Allyl caproate; Allyl ''n''-caproate; 2-Propenyl ''n''-hexanoate; Hexanoic acid, 2-propenyl ester
⚫	\| ImageSize = ~~120px~~
	\| ImageName = Allyl isothiocyanate
	\| ImageFile1 = Allyl-isothiocyanate-3D-vdW.png
	\| ImageSize1 = 120px
	\| ImageName1 = Space-filling model of allyl isothiocyanate
	\| IUPACName = 3-Isothiocyanato-1-propene
	\| OtherNames = synthetic mustard oil
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 29006
	\| UNII = BN34FX42G3
			\| InChI = 1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| InChIKey = RCSBILYQLVXLJG-UHFFFAOYAX
	\| KEGG = D02818
			\| SMILES1 = O=C(OCC=C)CCCCC
	\| InChI = 1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
	\| InChIKey = ZOJBYZNEUISWFT-UHFFFAOYAS
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C4H5NS~~/c1-2-3-5-4-6/~~h2H~~,1,~~3H2~~		\| StdInChI = 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ZOJBYZNEUISWFT~~-UHFFFAOYSA-N		\| StdInChIKey = RCSBILYQLVXLJG-UHFFFAOYSA-N
	\| CASNo_Ref = {{cascite\|correct\|~~CAS~~}}		\| CASNo_Ref = {{cascite\|correct\|??}}=
	\| CASNo = 57-06-7		\| CASNo = <!-- blanked - oldvalue: 123-68-2 -->
		⚫	\| PubChem = 31266
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| SMILES = CCCCCC(OCC=C)=O
	\| ChEMBL = 233248
			\| EINECS = 204-642-4
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	}}
⚫	\| ChemSpiderID = ~~21105854~~
⚫	\| SMILES = ~~C=CCN~~=C=S
⚫	\| PubChem = ~~5971~~
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| C=4\|H=5\|N=~~1\|S=1~~		\| C=9\|H=16\|O=2
			\| Appearance = Colorless to pale yellow clear liquid<ref name=thegoodscentscompany> at The Good Scents Company</ref>
	\| Density = 1.013–1.020 g/cm<sup>3</sup>
			\| Density = 0.887 g/mL<ref name=Merck> at ]</ref><br>0.884-0.892 g/mL<ref name=thegoodscentscompany/>
	\| MeltingPtC = −102
	\| ~~BoilingPtCL~~ = ~~148~~		\| MeltingPt =
			\| BoilingPt = 190-191 °C<ref name=thegoodscentscompany/><br>75-76 °C (15 mmHg)<ref name=Merck/>
	\| BoilingPtCH = 154
			\| Solubility = Insoluble<ref name=thegoodscentscompany/>
			}}
			\| Section3 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt = 66 °C<ref name=thegoodscentscompany/>
			\| Autoignition =
			\| RPhrases = {{R22}} {{R24}} {{R51/53}}
			\| SPhrases = {{S2}} {{S26}} {{S36/37/39}} {{S45}} {{S61}}
	}}		}}
	}}		}}

Revision as of 04:45, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470174115 of page Allyl_hexanoate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name prop-2-enyl hexanoate
Other names Allyl caproate; Allyl n-caproate; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propenyl ester
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	29006
EC Number	204-642-4
PubChem CID	31266
InChI InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3Key: RCSBILYQLVXLJG-UHFFFAOYSA-N InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3Key: RCSBILYQLVXLJG-UHFFFAOYAX
SMILES CCCCCC(OCC=C)=O O=C(OCC=C)CCCCC
Properties
Chemical formula	C₉H₁₆O₂
Molar mass	156.225 g·mol
Appearance	Colorless to pale yellow clear liquid
Density	0.887 g/mL 0.884-0.892 g/mL
Boiling point	190-191 °C 75-76 °C (15 mmHg)
Solubility in water	Insoluble
Hazards
Flash point	66 °C
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

^ Allyl hexanoate at The Good Scents Company
^ Allyl caproate at Sigma-Aldrich