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Revision as of 15:18, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465128313 of page 2-Butanol for the Chem/Drugbox validation project (updated: '').← Previous edit Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary 
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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|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{drugbox
| verifiedrevid = 477001424
| Watchedfields = changed
| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one
| verifiedrevid = 443313615
| ImageFile = 2-butanol Line-Structure.svg | image = L-Ascorbic_acid.svg
| width = 200px
| ImageFile_Ref = {{chemboximage|correct|??}}
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageName = Skeletal formula of 2-butanol
| width2 = 200px
| IUPACName = Butan-2-ol<ref>{{Cite web|title = 2-butanol - Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6568|work = PubChem Compound|publisher = National Center for Biotechnology Information|accessdate = 12 October 2011|location = USA|date = 26 March 2005|at = Identification and Related Records}}</ref>

| OtherNames = ''sec''-Butanol{{Citation needed|date = October 2011}}<br />
<!--Clinical data-->
''sec''-Butyl alcohol{{Citation needed|date = October 2011}}
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| Section1 = {{Chembox Identifiers
| licence_EU = <!-- EMEA requires brand name -->
| CASNo = 78-92-2
| licence_US = <!-- FDA may use generic name -->
| CASNo_Ref = {{cascite|correct|CAS}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| CASNo1 = 14898-79-4
| pregnancy_US = <!-- A / B / C / D / X -->
| CASNo1_Comment = <small>(''R'')</small>
| pregnancy_category = A
| CASNo2 = 4221-99-2
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| CASNo2_Comment = <small>(''S'')</small>
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| PubChem = 6568
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| PubChem1 = 84682
| legal_status = general public availability
| PubChem1_Ref = {{Pubchemcite|correct|Pubchem}}
| routes_of_administration = oral
| PubChem1_Comment = <small>(''R'')</small>

| PubChem2 = 444683
<!--Pharmacokinetic data-->
| PubChem2_Ref = {{Pubchemcite|correct|Pubchem}}
| bioavailability = rapid & complete
| PubChem2_Comment = <small>(''S'')</small>
| protein_bound = negligible
| ChemSpiderID = 6320
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1 = 76392 | excretion = renal

| ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
<!--Identifiers-->
| ChemSpiderID1_Comment = <small>(''R'')</small>
| CASNo_Ref = {{cascite|correct|CAS}}
| ChemSpiderID2 = 392543
| ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}} | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 50-81-7
| ChemSpiderID2_Comment = <small>(''S'')</small>
| EINECS = 201-158-5 | ATC_prefix = A
| UNNumber = 1120 | ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| DrugBank = DB02606
| ChEBI = 29073
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| MeSHName = 2-butanol | PubChem = 5785
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChEBI = 35687
| DrugBank = DB00126
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL = 45462
| ChemSpiderID = 10189562
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| NIAID_ChemDB = 002072
| RTECS = EO1750000
| UNII_Ref = {{fdacite|correct|FDA}}
| Beilstein = 773649<br />
| UNII = PQ6CK8PD0R
1718764 <small>(''R'')</small><br />
| KEGG_Ref = {{keggcite|correct|kegg}}
1718763 <small>(''S'')</small>
| Gmelin = 1686<br /> | KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
396584 <small>(''R'')</small><br />
| ChEMBL = 196
25655 <small>(''S'')</small>

| SMILES = CCC(C)O
<!--Chemical data-->
| StdInChI = 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
| chemical_formula =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| C=6 | H=7 | O=6
| StdInChIKey = BTANRVKWQNVYAZ-UHFFFAOYSA-N
| molecular_weight = 176.12 g/]
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
}}
| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
| Section2 = {{Chembox Properties
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| C = 4
| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
| H = 10
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| O = 1
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| ExactMass = 74.073164942 g mol<sup>−1</sup>
| synonyms = <small>L</small>-ascorbic acid
| Density = 0.808 g cm<sup>−3</sup>
| MeltingPtK = 158 | density = 1.694
| BoilingPtKL = 371 | melting_point = 190
| BoilingPtKH = 373 | boiling_point = 553
| Solubility = 290 g dm<sup>−3</sup><ref name = "Journal of Chemical Education">{{Cite journal|last = Alger|first = Donald B.|title = The water solubility of 2-butanol: A widespread error|journal = Journal of Chemical Education|year = 1991|month = November|volume = 68|issue = 11|doi = 10.1021/ed068p939.1|url = http://pubs.acs.org/doi/abs/10.1021/ed068p939.1|accessdate = 12 October 2011|page = 939|publisher = ACS Publications|location = USA}}</ref>
| VaporPressure = 1.67 kPa (at 20 °C)
| LogP = 0.683
| RefractIndex = 1.3978 (at 20 °C)
}}
| Section3 = {{Chembox Thermochemistry
| DeltaHf = −343.3–−342.1 kJ mol<sup>-1</sup>
| DeltaHc = −2.6611–−2.6601 MJ mol<sup>−1</sup>
| Entropy = 213.1 J K<sup>-1</sup> mol<sup>−1</sup>
| HeatCapacity = 197.1 J K<sup>−1</sup> mol<sup>−1</sup>
}}
| Section4 = {{Chembox Hazards
| ExternalMSDS =
| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
| GHSSignalWord = '''WARNING'''
| HPhrases = {{H-phrases|226|319|335|336}}
| PPhrases = {{P-phrases|261|305+351+338}}
| EUIndex = 603-127-00-5
| EUClass = {{Hazchem Xi}}
| RPhrases = {{R10}}, {{R36/37}}, {{R67}}
| SPhrases = {{S2}}, {{S7/9}}, {{S13}}, {{S24/25}}, {{S26}}, {{S46}}
| NFPA-H = 1
| NFPA-F = 3
| NFPA-R = 0
| FlashPt = 22–27 °C
| Autoignition = 405 °C
| ExploLimits = 1.7–9.8%
}}
| Section5 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br/>]<br/>]
| OtherCpds = ]
}}
}} }}

Latest revision as of 14:25, 29 January 2022

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477243833 of page Vitamin_C with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesL-ascorbic acid
AHFS/Drugs.comMultum Consumer Information
Pregnancy
category
  • A
Routes of
administration		oral
ATC code
Legal status
Legal status
  • general public availability
Pharmacokinetic data
Bioavailabilityrapid & complete
Protein bindingnegligible
Elimination half-lifevaries according to plasma concentration
Excretionrenal
Identifiers
IUPAC name
  • 2-Oxo-L-threo-hexono-1,4-lactone-2,3-enediol
    or
    (R)-3,4-dihydroxy-5-((S)- 1,2-dihydroxyethyl)furan-2(5H)-one
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
Chemical and physical data
FormulaC6H7O6
Molar mass176.12 g/mole g·mol
3D model (JSmol)
Density1.694 g/cm
Melting point190 °C (374 °F)
Boiling point553 °C (1,027 °F)
SMILES
  • C((1C(=C(C(=O)O1)O)O)O)O
InChI
  • InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
  • Key:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
  (verify)