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Revision as of 13:48, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 437829250 of page Trans-1,2-Diaminocyclohexane for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:48, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 465662577 of page Trans-2-Methyl-2-butenal for the Chem/Drugbox validation project (updated: 'ChEMBL', '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		\| Watchedfields = changed
	\| verifiedrevid = ~~401640469~~		\| verifiedrevid = 444231478
	\|Name=''trans''-1,2-~~Diaminocyclohexane~~		\|Name=''trans''-2-Methyl-2-butenal
			\|ImageFile=Methylbutenal.png
	\|ImageFile=Trans-1,2-Diaminocyclohexane Structural Formulae V.1.svg
	\|ImageSize=~~250px~~		\|ImageSize=200px
	\|IUPACName=~~(±)-~~''trans''-1,2-~~Cyclohexanediamine~~		\|IUPACName=''trans''-2-methyl-2-butenal
			\|OtherNames= ''trans''-2,3-dimethylacrolein, tiglic aldehyde, tiglinaldehyde, tiglaldehyde
	\|OtherNames= 1,2-Diaminocyclohexane; chxn
	\|Section1= {{Chembox Identifiers		\|Section1= {{Chembox Identifiers
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~420572~~		\| ChemSpiderID = 4479558
	\| InChI = 1/~~C6H14N2~~/~~c7-5~~-3-1-2-4-6~~(5)8~~/h5-6H,1-~~4,7-8H2~~/t5-~~,6-/m0/s1~~		\| InChI = 1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
	\| InChIKey = ~~SSJXIUAHEKJCMH~~-~~WDSKDSINBK~~		\| InChIKey = ACWQBUSCFPJUPN-HWKANZROBA
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H14N2~~/~~c7-5~~-3-1-2-4-6~~(5)8~~/h5-6H,1-~~4,7-8H2~~/t5-~~,6-/m0/s1~~		\| StdInChI = 1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~SSJXIUAHEKJCMH~~-~~WDSKDSINSA~~-N		\| StdInChIKey = ACWQBUSCFPJUPN-HWKANZROSA-N
			\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo = <!-- blanked - oldvalue: ~~1121~~-22-8 -->		\| CASNo = <!-- blanked - oldvalue: 497-03-0 -->
⚫	\| PubChem = ~~479307~~
			\| ChEMBL = 53493
	\| SMILES = N1CCCC1N
		⚫	\| PubChem = 5321950
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 27ZVE2K81C
			\| SMILES = O=C/C(=C/C)C
	}}		}}
	\|Section2= {{Chembox Properties		\|Section2= {{Chembox Properties
			\| Formula=C<sub>5</sub>H<sub>8</sub>O
	\| C=6\|H=14\|N=2
			\| MolarMass=84.12
	\| Appearance=~~Colorless~~ liquid		\| Appearance=colorless liquid
	\| Density=0.951 g/cm<sup>3</sup>
			\| Density=0.871
	\| MeltingPtCL = 14
	\| ~~MeltingPtCH~~ = 15		\| MeltingPtC=-78
			\| BoilingPt=116–119 °C (752 mm Hg)
	\| BoilingPtCL = 79
	\| BoilingPtCH = 81
	\| Boiling_notes = 15 mm Hg
	\| Solubility=		\| Solubility=
	}}		}}
	\|Section3= {{Chembox Hazards		\|Section3= {{Chembox Hazards
	\| MainHazards=		\| MainHazards=
	\| FlashPt= ~~{{convert\|156\|~~F~~\|C}}~~		\| FlashPt=65 °F
	\| Autoignition=		\| Autoignition=
	}}		}}
			\| Section4 = {{Chembox Related
			\| Function = alkenals
			\| OtherFunctn = ]<br />
			]<br />
			]
			}}
	}}		}}

Revision as of 13:48, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465662577 of page Trans-2-Methyl-2-butenal with values updated to verified values.

*trans*-2-Methyl-2-butenal
Names

IUPAC name trans-2-methyl-2-butenal
Other names trans-2,3-dimethylacrolein, tiglic aldehyde, tiglinaldehyde, tiglaldehyde
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL53493
ChemSpider	4479558
PubChem CID	5321950
UNII	27ZVE2K81C
InChI InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+Key: ACWQBUSCFPJUPN-HWKANZROSA-N InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+Key: ACWQBUSCFPJUPN-HWKANZROBA
SMILES O=C/C(=C/C)C
Properties
Chemical formula	C₅H₈O
Molar mass	84.12
Appearance	colorless liquid
Density	0.871
Melting point	−78 °C (−108 °F; 195 K)
Boiling point	116–119 °C (752 mm Hg)
Hazards
Flash point	65 °F
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