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

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Revision as of 13:53, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 410156624 of page Triacetone_amine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:53, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 459657575 of page Triacontanol 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 = ~~410155353~~		\| verifiedrevid = 444232342
			\|Reference=<ref>'']'', 11th Edition, '''9506'''.</ref>
	\| Name = Triacetone amine
	\| ImageFile = ~~Triacetone amine~~.png		\|ImageFile=Triacontanol.png
	~~<!--~~ \| ImageSize = ~~150px -->~~		\|ImageSize=250px
			\|IUPACName=Triacontan-1-ol
	\| ImageName =
			\|OtherNames=1-Triacontanol<br>''n''-Triacontanol<br>Melissyl alcohol<br>Myricyl alcohol
	\| IUPACName = 2,2,6,6-Tetramethylpiperidinone
		⚫	\|Section1={{Chembox Identifiers
	\| OtherNames = Triacetone amine
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID = 62194
	\| SMILES = O=C1CC(NC(C)(C)C1)(C)C
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 767RD0E90B
⚫	\| ChemSpiderID = ~~12665~~
			\| InChI = 1/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
⚫	\| PubChem = ~~13220~~
			\| InChIKey = REZQBEBOWJAQKS-UHFFFAOYAU
	\| InChI = 1/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
	\| InChIKey = JWUXJYZVKZKLTJ-UHFFFAOYAQ
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~117614~~		\| ChEMBL = 1079147
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C9H17NO~~/c1-8(2)5-~~7(11)~~6-9~~(3,4)~~10-8/~~h10H~~,5-~~6H2~~,~~1-4H3~~		\| StdInChI = 1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~JWUXJYZVKZKLTJ~~-UHFFFAOYSA-N		\| StdInChIKey = REZQBEBOWJAQKS-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = <!-- blanked - oldvalue: 826-36-8 -->
			\| CASNo=593-50-0
	\| RTECS = TO0127900
		⚫	\| PubChem=68972
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 28409
			\| SMILES = OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
		⚫	}}
			\|Section2={{Chembox Properties
		⚫	\| Formula=C<sub>30</sub>H<sub>62</sub>O
		⚫	\| MolarMass=438.81 g/mol
			\| Appearance=
			\| Density=0.777 g/mol at 95 °C
		⚫	\| MeltingPt=87 °C
		⚫	\| BoilingPt=
		⚫	\| Solubility=Insoluble
	}}		}}
	\| ~~Section2~~ = {{Chembox ~~Properties~~		\|Section3={{Chembox Hazards
		⚫	\| MainHazards=
⚫	\| Formula = C<sub>9</sub>H<sub>17</sub>NO
		⚫	\| FlashPt=
⚫	\| MolarMass = ~~155~~.23 g/mol
			\| Autoignition=
	\| Appearance = Colorless low-melting solid
	\| Density = ? g/cm<sup>3</sup>
⚫	\| Solubility = ~~Moderate~~
	\| Solvent = other solvents
	\| SolubleOther = Most organic solvents
⚫	\| MeltingPt = 43 °C
⚫	\| BoilingPt = ~~205 °C~~
	\| pKb =
	\| Viscosity =
⚫	}}
	\| Section3 = {{Chembox Structure
	\| Dipole =
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
⚫	\| MainHazards = ~~flammable~~
⚫	\| FlashPt = ~~164 °F~~
	\| RPhrases = 22-36/37/38
	\| SPhrases = 26-36/37
	}}
	\| Section8 = {{Chembox Related
	\| OtherCpds = ]
	}}		}}
	}}		}}

Revision as of 13:53, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 459657575 of page Triacontanol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name Triacontan-1-ol
Other names 1-Triacontanol n-Triacontanol Melissyl alcohol Myricyl alcohol
Identifiers
CAS Number	593-50-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:28409
ChEMBL	ChEMBL1079147
ChemSpider	62194
PubChem CID	68972
UNII	767RD0E90B
InChI InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3Key: REZQBEBOWJAQKS-UHFFFAOYSA-N InChI=1/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3Key: REZQBEBOWJAQKS-UHFFFAOYAU
SMILES OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Properties
Chemical formula	C₃₀H₆₂O
Molar mass	438.81 g/mol
Density	0.777 g/mol at 95 °C
Melting point	87 °C
Solubility in water	Insoluble
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, 9506.