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

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Revision as of 11:57, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 444072573 of page Pterulone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').← Previous edit		Revision as of 11:58, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 444074446 of page Pulegone 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
			\| verifiedrevid = 444072653
	\| ImageFile = Pterulone.png
			\| Reference = <ref>''Merck Index'', 11th Edition, '''7955'''.</ref>
⚫	\| ImageSize =
			\| ImageFile = Pulegone Structural Formulae.png
	\| IUPACName = 1-ethanone
		⚫	\| ImageSize = 220px
	\| OtherNames =
			\| IUPACName = (''R'')-5-Methyl-2-(1-methylethylidine)cyclohexanone
			\| OtherNames = ''p''-Menth-4(8)-en-3-one; <br>δ-4(8)-p-menthen-3-one; <br>(''R'')-2-Isopropylidene-5-methylcyclohexanone; <br>(''R'')-''p''-Menth-4(8)-en-3-one; <br>(''R'')-(+)-Pulegone
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| Abbreviations =
	\| InChI = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| InChIKey1 = QEWSARCWWQPUSM-YFHOEESVSA-N
		⚫	\| ChemSpiderID = 390923
	\| InChI1 = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-
			\| InChI = 1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
⚫	\| CASNo =
			\| InChIKey = NZGWDASTMWDZIW-MRVPVSSYBS
	\| ChEMBL = 450490
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| PubChem = ~~11424846~~
			\| StdInChI = 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
⚫	\| ChemSpiderID = ~~9599722~~
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QEWSARCWWQPUSM~~-~~YFHOEESVSA~~-N		\| StdInChIKey = NZGWDASTMWDZIW-MRVPVSSYSA-N
⚫	\| SMILES = O=C(~~c2ccc1OCC~~(/C=C~~\c1c2~~)=~~Cl)~~C
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| StdInChI = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-
		⚫	\| CASNo = 89-82-7
	}}
			\| EINECS =
		⚫	\| PubChem = 442495
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 4LF2673R3G
		⚫	\| SMILES = O=C1/C(=C(/C)C)CC(C)C1
			\| InChI =
			\| RTECS =
			\| MeSHName =
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 35596
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG =
			\| ATCCode_prefix =
			\| ATCCode_suffix =
			\| ATC_Supplemental =}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>13</sub>H<sub>~~11</sub>ClO<sub>2~~</sub>		\| Formula = C<sub>10</sub>H<sub>16</sub>O
	\| MolarMass = ~~234~~.~~678~~		\| MolarMass = 152.23 g/mol
	\| Appearance =		\| Appearance = Colorless oil
	\| Density =		\| Density = 0.9346 g/cm<sup>3</sup>
	\| MeltingPt =		\| MeltingPt =
	\| ~~BoilingPt~~ =		\| Melting_notes =
	\| ~~Solubility~~ =		\| BoilingPtC = 224
			\| Boiling_notes =
	}}
			\| Solubility = Insoluble
⚫	\| ~~Section3~~ = {{Chembox Hazards
			\| SolubleOther = Miscible
⚫	\| MainHazards =
			\| Solvent = ]<br>]<br>]
⚫	\| FlashPt =
	\| ~~Autoignition~~ =		\| pKa =
	}}		\| pKb = }}
		⚫	\| Section7 = {{Chembox Hazards
			\| ExternalMSDS = <ref name=sds>{{cite web
			\| last = ]
			\| first =
			\| authorlink =
			\| coauthors =
			\| title = Safety data sheet
			\| work =
			\| publisher =
			\| date =
			\| url = http://notes.ump.edu.my/fkksa/FKKSA/Archive/Technical%20Unit/Warehouse%20Unit/Chemical/MSDS/MERCK_EN/8186/818665.pdf
			\| format =
			\| doi =
			\| accessdate = 8 June 2009 }}</ref>
			\| EUClass =
			\| EUIndex =
		⚫	\| MainHazards =
			\| NFPA-H =
			\| NFPA-F =
			\| NFPA-R =
			\| NFPA-O =
			\| RPhrases =
			\| SPhrases =
			\| RSPhrases =
		⚫	\| FlashPt =
			\| Autoignition =
			\| ExploLimits =
			\| PEL = }}
	}}		}}

Revision as of 11:58, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 444074446 of page Pulegone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (R)-5-Methyl-2-(1-methylethylidine)cyclohexanone
Other names p-Menth-4(8)-en-3-one; δ-4(8)-p-menthen-3-one; (R)-2-Isopropylidene-5-methylcyclohexanone; (R)-p-Menth-4(8)-en-3-one; (R)-(+)-Pulegone
Identifiers
CAS Number	89-82-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:35596
ChemSpider	390923
PubChem CID	442495
UNII	4LF2673R3G
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1Key: NZGWDASTMWDZIW-MRVPVSSYSA-N Key: NZGWDASTMWDZIW-MRVPVSSYBS
SMILES O=C1/C(=C(/C)C)CC(C)C1
Properties
Chemical formula	C₁₀H₁₆O
Molar mass	152.23 g/mol
Appearance	Colorless oil
Density	0.9346 g/cm
Boiling point	224 °C (435 °F; 497 K)
Solubility in water	Insoluble
Solubility in Ethanol Ether Chloroform	Miscible
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

Merck Index, 11th Edition, 7955.