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Revision as of 09:28, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 462328413 of page Benzoin for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 09:39, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 463840318 of page Camphor 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 = 443418104 | verifiedrevid = 443495749
| Reference=<ref>''The Merck Index'', 7th edition, Merck & Co., Rahway, New Jersey, USA, 1960</ref><ref>''Handbook of Chemistry and Physics'', CRC Press, Ann Arbor, Michigan, USA</ref>
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageFile = Benzoin.png | ImageFileL1 = camphor structure.png
| ImageFileL1_Ref = {{Chemboximage|correct|??}}
| ImageFile1 = Benzoin-3D-balls.png
| ImageSizeL1 = 100
| IUPACName = 2-hydroxy-1,2-di(phenyl)ethanone
| ImageNameL1 = Structural formula of camphor
| OtherNames = 2-hydroxy-2-phenylacetophenone, 2-hydroxy-1,2-diphenylethanone, desyl alcohol, bitter almond oil camphor
| ImageFileR1 = Camphor-3D-balls.png
| ImageFileR1_Ref = {{Chemboximage|correct|??}}
| ImageSizeR1 = 120
| ImageNameR1 = Ball and stick model of camphor ((1R,4R)-1-methyl,heptan)
| IUPACName = 1,7,7-Trimethylbicycloheptan-2-one
| SystematicName = 1,7,7-Trimethylbicycloheptan-2-one
| OtherNames = 2-Bornanone; Bornan-2-one; 2-Camphanone; Formosa
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 76-22-2
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 464-49-3
| CASNo1_Ref = {{cascite|correct|CAS}}
| CASNo1_Comment = (''R'')
| CASNo2 = 464-48-2
| CASNo2_Ref = {{cascite|correct|??}}
| CASNo2_Comment = (''S'')
| PubChem = 2537
| PubChem_Ref = {{Pubchemcite|correct|PubChem}}
| PubChem1 = 9543187
| PubChem1_Ref = {{Pubchemcite|correct|PubChem}}
| PubChem1_Comment = (''R'')
| PubChem2 = 10050
| PubChem2_Ref = {{Pubchemcite|correct|PubChem}}
| PubChem2_Comment = (''S'')
| ChemSpiderID = 2441
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1 = 7822160
| ChemSpiderID = 8093
| UNII_Ref = {{fdacite|correct|FDA}} | ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1_Comment = (''R'')
| UNII = L7J6A1NE81
| ChemSpiderID2 = 9655
| KEGG_Ref = {{keggcite|correct|kegg}}
| ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}}
| KEGG = C01408
| ChemSpiderID2_Comment = (''S'')
| InChI = 1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
| UNII = 5TJD82A1ET
| InChIKey = ISAOCJYIOMOJEB-UHFFFAOYAO
| UNII_Ref = {{fdacite|correct|FDA}}
| SMILES1 = c1ccc(cc1)C(C(=O)c2ccccc2)O
| EINECS = 200-945-0
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 190677 | UNNumber = 2717
| KEGG = D00098
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| KEGG_Ref = {{keggcite|correct|kegg}}
| StdInChI = 1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
| MeSHName = Camphor
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| StdInChIKey = ISAOCJYIOMOJEB-UHFFFAOYSA-N
| ChEBI = 36773
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 119-53-9 | ChEMBL = 15768
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| PubChem = 8400
| IUPHAR_ligand = 2422
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 17682 | RTECS = EX1225000
| Beilstein = 1907611
| SMILES = O=C(c1ccccc1)C(O)c2ccccc2
| Gmelin = 83275
| 3DMet = B04729
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01744
| ATCCode_prefix = C01
| ATCCode_suffix = EB02
| SMILES = CC1(C)C2CCC1(C)C(=O)C2
| SMILES1 = O=C1CC2CCC1(C)C2(C)C
| StdInChI = 1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChI = 1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
| StdInChIKey = DSSYKIVIOFKYAU-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = DSSYKIVIOFKYAU-UHFFFAOYAK
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 10
|C=14|H=12|O=2
| H = 16
| Appearance = off-white crystals
| O = 1
| Density = 1.31 g/cm<sup>3</sup>
| ExactMass = 152.120115134 g mol<sup>-1</sup>
| MeltingPt = 132-137 °C
| Appearance = White, translucent crystals
| BoilingPt = 344 °C
| Density = 0.990 g cm<sup>-3</sup>
| Solubility = Slightly Soluble
| Solvent = ] | MeltingPtCL = 175
| MeltingPtCH = 177
| SolubleOther = Slightly Soluble
| Solvent = ] | BoilingPtC = 204
| Solubility = 1.2 g dm<sup>-3</sup>
| SolubleOther = Soluble
| Solvent = ] | Solvent1 = acetone
| Solubility1 = ~2500 g dm<sup>-3</sup>
| SolubleOther = Slightly Soluble
| Solvent = ] | Solvent2 = acetic acid
| Solubility2 = ~2000 g dm<sup>-3</sup>
| SolubleOther = Soluble
| Solvent3 = diethyl ether
}}
| Solubility3 = ~2000 g dm<sup>-3</sup>
| Solvent4 = chloroform
| Solubility4 = ~1000 g dm<sup>-3</sup>
| Solvent5 = ethanol
| Solubility5 = ~1000 g dm<sup>-3</sup>
| LogP = 2.089
| VaporPressure = 4 mmHg (at 70 °C)
| SpecRotation = +44.1°
}}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| EUClass = {{Hazchem F}}{{Hazchem Xn}}
| MainHazards =
| RPhrases = {{R11}} {{R22}} {{R36/37/38}}
| FlashPt =
| SPhrases = {{S16}} {{S26}}
| Autoignition =
| NFPA-H = 2 | NFPA-H = 2
| NFPA-F = 1 | NFPA-F = 2
| NFPA-R = 0 | NFPA-R = 0
| NFPA-O = | ExploLimits = 3.5%
| FlashPt = 64 °C
}}
}}
| Section4 = {{Chembox Related
| Function = ]s
| OtherFunctn = ], ]
| OtherCpds = ], ], ], ], ]
}}
}} }}

Revision as of 09:39, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 463840318 of page Camphor with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Structural formula of camphor
Structural formula of camphor
Ball and stick model of camphor ((1R,4R)-1-methyl,heptan)
Ball and stick model of camphor ((1R,4R)-1-methyl,heptan)
Names
IUPAC name 1,7,7-Trimethylbicycloheptan-2-one
Systematic IUPAC name 1,7,7-Trimethylbicycloheptan-2-one
Other names 2-Bornanone; Bornan-2-one; 2-Camphanone; Formosa
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1907611
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 200-945-0
Gmelin Reference 83275
IUPHAR/BPS
KEGG
MeSH Camphor
PubChem CID
RTECS number
  • EX1225000
UNII
UN number 2717
InChI
  • InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3Key: DSSYKIVIOFKYAU-UHFFFAOYSA-N
  • InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3Key: DSSYKIVIOFKYAU-UHFFFAOYAK
SMILES
  • CC1(C)C2CCC1(C)C(=O)C2
  • O=C1CC2CCC1(C)C2(C)C
Properties
Chemical formula C10H16O
Molar mass 152.237 g·mol
Appearance White, translucent crystals
Density 0.990 g cm
Boiling point 204 °C (399 °F; 477 K)
Solubility in water 1.2 g dm
Solubility in acetone ~2500 g dm
Solubility in acetic acid ~2000 g dm
Solubility in diethyl ether ~2000 g dm
Solubility in chloroform ~1000 g dm
Solubility in ethanol ~1000 g dm
log P 2.089
Vapor pressure 4 mmHg (at 70 °C)
Chiral rotation (D) +44.1°
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 2 0
Flash point 64 °C
Explosive limits 3.5%
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. The Merck Index, 7th edition, Merck & Co., Rahway, New Jersey, USA, 1960
  2. Handbook of Chemistry and Physics, CRC Press, Ann Arbor, Michigan, USA
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