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Revision as of 16:54, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 457313256 of page 2,2-Dimethoxy-2-phenylacetophenone for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:55, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 465067942 of page 2,2-Dimethyl-1-butanol 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
| Verifiedfields = changed | Watchedfields = changed
| verifiedrevid = 457311897 | verifiedrevid = 399198447
| Name = 2,2-Dimethyl-1-butanol
| ImageFile = DMPA.png
| ImageFile = 2,2-dimethyl-1-butanol.PNG
| ImageSize = 200px
| ImageAlt = | ImageSize =
| ImageName =
| IUPACName = 2,2-Dimethoxy-2-phenylacetophenone | IUPACName = 2,2-Dimethyl-1-butanol
⚫ | PIN =
| OtherNames = α,α-Dimethoxy-α-phenylacetophenone, Benzil α,α-dimethyl acetal | OtherNames = 2,2-Dimethylbutan-1-ol
| Reference = <ref name="hand">
{{Citation
| last = Lide
| first = David R.
| author-link =
| last2 =
| first2 =
| author2-link =
| publication-date =
| date =
| year = 1998
| title = Handbook of Chemistry and Physics
| edition = 87
| volume =
| series =
| publication-place = Boca Raton, FL
| place =
| publisher = CRC Press
| id =
| isbn = 0849305942
| doi =
| oclc =
| pages = 3-214, 8-106
⚫ | url =
| accessdate =
}}</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Abbreviations = DMPA
⚫ | ChemSpiderID = 13801
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChI = 1/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
⚫ | ChemSpiderID = 81777
| InChIKey = XRMVWAKMXZNZIL-UHFFFAOYAT
| InChI = 1/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
| SMILES = OCC(C)(C)CC
| InChIKey = KWVGIHKZDCUPEU-UHFFFAOYAK
| ChEMBL_Ref = {{ebicite|changed|EBI}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
| ChEMBL = 364734
| StdInChI_Ref = {{stdinchicite|changed|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = XRMVWAKMXZNZIL-UHFFFAOYSA-N
| StdInChI = 1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
| CASNo = <!-- blanked - oldvalue: 1185-33-7 -->
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
⚫ | CASNo_Ref = {{cascite|correct|??}}=
⚫ | StdInChIKey = KWVGIHKZDCUPEU-UHFFFAOYSA-N
| RTECS =
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 24650-42-8 | EINECS =
| PubChem = 90571 | PubChem =
⚫ }}
| SMILES = O=C(c1ccccc1)C(OC)(OC)c2ccccc2
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>6</sub>H<sub>14</sub>O
| C = 16 | O = 3 | H = 16
| MolarMass = | MolarMass = 102.174 g/mol
| Appearance = | Appearance = colorless liquid
| Density = | Density = 0.8283 g/cm<sup>3</sup> at 20&nbsp;°C
| MeltingPt = | Solubility = 8 g/L
| SolubleOther = soluble in ], ]
⚫ | BoilingPt =
| MeltingPt = <−15&nbsp;°C
| Solubility = }}
⚫ | BoilingPt = 136.5&nbsp;°C
⚫ | Section3 = {{Chembox Hazards
| MainHazards = | VaporPressure =
}}
⚫ | FlashPt =
| Section3 = {{Chembox Structure
⚫ | Autoignition = }}
| Coordination =
| CrystalStruct =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity =
}}
⚫ | Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUIndex =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| RPhrases =
| SPhrases =
⚫ | FlashPt =
⚫ | Autoignition =
| ExploLimits =
| LD50 =
}}
| Section8 = {{Chembox Related
| OtherCpds = ]
}}
}} }}

Revision as of 16:55, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465067942 of page 2,2-Dimethyl-1-butanol with values updated to verified values.
2,2-Dimethyl-1-butanol
Names
IUPAC name 2,2-Dimethyl-1-butanol
Other names 2,2-Dimethylbutan-1-ol
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3Key: XRMVWAKMXZNZIL-UHFFFAOYSA-N
  • InChI=1/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3Key: XRMVWAKMXZNZIL-UHFFFAOYAT
SMILES
  • OCC(C)(C)CC
Properties
Chemical formula C6H14O
Molar mass 102.174 g/mol
Appearance colorless liquid
Density 0.8283 g/cm at 20 °C
Melting point <−15 °C
Boiling point 136.5 °C
Solubility in water 8 g/L
Solubility soluble in ethanol, diethyl ether
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
Chemical compound
  1. Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 3–214, 8–106, ISBN 0849305942