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Revision as of 19:50, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 477101262 of page Acetic_acid for the Chem/Drugbox validation project (updated: 'KEGG').← 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
| Verifiedfields = 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 = 476998154
| image = L-Ascorbic_acid.svg
| ImageFile3 = Acetic acid.jpg
| width = 200px
| ImageFile3_Ref = {{chemboximage|correct|??}}
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageSize3 = 244
| width2 = 200px
| ImageName3 = Sample of acetic acid in a reagent bottle

| ImageFileL1 = Acetic-acid-2D-skeletal.svg
<!--Clinical data-->
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| ImageSizeL1 = 121
| licence_EU = <!-- EMEA requires brand name -->
| ImageNameL1 = Skeletal formula of acetic acid
| licence_US = <!-- FDA may use generic name -->
| ImageFileR1 = Acetic-acid-CRC-GED-3D-vdW-B.png
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| pregnancy_US = <!-- A / B / C / D / X -->
| ImageSizeR1 = 121
| pregnancy_category = A
| ImageNameR1 = Spacefill model of acetic acid
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| ImageFileL2 =Acetic-acid-2D-flat.png
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| ImageFileL2_Ref = {{chemboximage|correct|??}}
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| ImageSizeL2 = 121
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| ImageNameL2 = Skeletal formula of acetic acid with all explicit hydogens added
| legal_status = general public availability
| ImageFileR2 = Acetic-acid-CRC-GED-3D-balls-B.png
| routes_of_administration = oral
| ImageFileR2_Ref = {{chemboximage|correct|??}}

| ImageSizeR2 = 121
<!--Pharmacokinetic data-->
| ImageNameR2 = Ball and stick model of acetic acid
| bioavailability = rapid & complete
| IUPACName = Acetic acid<ref>{{cite book | title=A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993) | publisher=Blackwell Scientific publications | author=IUPAC, Commission on Nomenclature of Organic Chemistry | year=1993 | chapter = Table 28(a) Carboxylic acids and related groups.Unsubstituted parent structures | url = http://www.acdlabs.eu/iupac/nomenclature/93/r93_705.htm }}</ref><ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=176|title = Acetic Acid - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>
| protein_bound = negligible
| SystematicName = Ethanoic acid<ref name="BB-prs310305"/>
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| OtherNames = Methanecarboxylic acid<ref>{{cite book|title=Scientific literature reviews on generally recognized as safe (GRAS) food ingredients|publisher=National Technical Information Service|year=1974|page=1}}</ref><ref>"Chemistry", volume 5, Encyclopedia Britannica, 1961, page 374</ref>
| excretion = renal
| Section1 = {{Chembox Identifiers

| Abbreviations = AcOH
<!--Identifiers-->
| CASNo = 64-19-7
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| PubChem = 176
| CAS_number = 50-81-7
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}
| ChemSpiderID = 171 | ATC_prefix = A
| ATC_suffix = 11G
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| UNII = Q40Q9N063P
| ChEBI = 29073
| UNII_Ref = {{fdacite|correct|FDA}}
| EINECS = 200-580-7 | PubChem = 5785
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| UNNumber = 2789
| DrugBank = DB00126
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| DrugBank = DB03166
| ChemSpiderID = 10189562
| KEGG = <!-- blanked - oldvalue: D00010 -->
| NIAID_ChemDB = 002072
| KEGG_Ref = {{keggcite|changed|kegg}}
| UNII_Ref = {{fdacite|correct|FDA}}
| MeSHName = Acetic+acid
| UNII = PQ6CK8PD0R
| ChEBI_Ref = {{ebicite|correct|EBI}}
| KEGG_Ref = {{keggcite|correct|kegg}}
| ChEBI = 15366
| ChEMBL = 539 | KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| IUPHAR_ligand = 1058 | ChEMBL = 196

| RTECS = AF1225000
<!--Chemical data-->
| ATCCode_prefix = G01
| chemical_formula =
| ATCCode_suffix = AD02
| C=6 | H=7 | O=6
| ATC_Supplemental = {{ATC|S02|AA10}}
| molecular_weight = 176.12 g/]
| Beilstein = 506007
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| Gmelin = 1380
| 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
| 3DMet = B00009
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| SMILES = CC(O)=O
| StdInChI = 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) | 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
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QTBSBXVTEAMEQO-UHFFFAOYSA-N | StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| synonyms = <small>L</small>-ascorbic acid
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| density = 1.694
}}
| melting_point = 190
| Section2 = {{Chembox Properties
| C = 2 | boiling_point = 553
| H = 4
| O = 2
| ExactMass = 60.021129372 g mol<sup>-1</sup>
| Appearance = Colourless liquid
| Density = 1.049 g cm<sup>-3</sup>
| Solubility = Miscible
| MeltingPtKL = 289
| MeltingPtKH = 290
| BoilingPtKL = 391
| BoilingPtKH = 392
| LogP = -0.322
| pKa = 4.792
| pKb = 9.198
| Viscosity = 1.22 mPa s
| Dipole = 1.74 D
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf = -483.88--483.16 kJ mol<sup>-1</sup>
| DeltaHc = -875.50--874.82 kJ mol<sup>-1</sup>
| Entropy = 158.0 J K<sup>-1</sup> mol<sup>-1</sup>
| HeatCapacity = 123.1 J K<sup>-1</sup> mol<sup>-1</sup>
}}
| Section5 = {{Chembox Hazards
| GHSPictograms = {{GHS02}} {{GHS05}}
| GHSSignalWord = Danger
| HPhrases = {{H-phrases|226|314}}
| PPhrases = {{P-phrases|280|305+351+338|310}}
| EUIndex = 607-002-00-6
| EUClass = {{Hazchem C}}
| RPhrases = {{R10}}, {{R35}}
| SPhrases = {{S1/2}}, {{S23}}, {{S26}}, {{S45}}
| NFPA-F = 2
| NFPA-H = 3
| NFPA-R = 1
| FlashPt = 40 °C
| Autoignition = 400 °C
| LD50 = 3.31 g kg<sup>-1</sup>, oral (rat)
}}
| Section6 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />]
| OtherCpds = ]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]
}}
}} }}

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)
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