| Revision as of 16:08, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 465877166 of page 1,2-Butanediol for the Chem/Drugbox validation project (updated: '').← Previous 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.}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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{{drugbox |
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| verifiedrevid = 443340093 |
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| verifiedrevid = 477001424 |
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| 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 |
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| Name = 1,2-Butanediol |
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| image = L-Ascorbic_acid.svg |
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| ImageFile = 1,2-Butanediol.png |
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| width = 200px |
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| ImageName = Molecular forula of 1,2-Butanediol |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| IUPACName = Butane-1,2-diol |
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| width2 = 200px |
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| OtherNames = 1,2-Dihydroxybutane<br/>α-Butylene glycol |
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| Section1 = {{Chembox Identifiers |
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<!--Clinical data--> |
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| InChI = 1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| licence_EU = <!-- EMEA requires brand name --> |
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| StdInChI = 1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
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| licence_US = <!-- FDA may use generic name --> |
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| InChIKey = BMRWNKZVCUKKSR-UHFFFAOYAV |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| StdInChIKey = BMRWNKZVCUKKSR-UHFFFAOYSA-N |
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| pregnancy_category = A |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| UNII = RUN0H01QEU |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| SMILES = OCC(O)CC |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| SMILES1 = CCC(CO)O |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| CASNo = 584-03-2 |
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| legal_status = general public availability |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| routes_of_administration = oral |
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| EC-number = 209-527-2 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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<!--Pharmacokinetic data--> |
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| bioavailability = rapid & complete |
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| protein_bound = negligible |
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| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores --> |
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| excretion = renal |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 50-81-7 |
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| ATC_prefix = A |
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| ATC_suffix = 11G |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = 52682 |
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| ChEBI = 29073 |
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| ChemSpiderID = 10948 |
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| PubChem = 5785 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| RTECS = EK0380000 |
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| DrugBank = DB00126 |
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}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| Section2 = {{Chembox Properties |
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| ChemSpiderID = 10189562 |
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| Reference = <ref>{{RubberBible62nd|page=C-190}}.</ref><ref>{{Ullmann | volume = A1 | page = VA4 461}}.</ref><ref name="SIDS">{{SIDS-ref|id=584032|name=1,2-Butanediol|date=February 1995}}.</ref> |
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| NIAID_ChemDB = 002072 |
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| Formula = C<sub>4</sub>H<sub>10</sub>O<sub>2</sub> |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| MolarMass = 90.121 g/mol |
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| UNII = PQ6CK8PD0R |
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| Density = 1.0023 g/cm<sup>3</sup> (20 °C) |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| MeltingPt = −50 °C<ref group="note">The value of −50 °C for the melting point is taken from ''Ullmann's Encyclopedia of Industrial Chemistry'' and used by the ] and the OECD ]. Other reported values of the melting point range from −114 °C to −30 °C.</ref> |
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| KEGG = D00018 |
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| BoilingPt = 195–196.9 °C<br/>96.5 °C (10 mmHg) |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| Solubility = miscible |
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| ChEMBL = 196 |
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| SolubleOther = soluble in ], ]; sparingly soluble in ]s and ]s; insoluble in ]s |
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| RefractIndex = 1.4378 (20 °C) |
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<!--Chemical data--> |
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| Viscosity = 7.3 mPa s (20 °C) |
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| chemical_formula = |
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}} |
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| C=6 | H=7 | O=6 |
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| Section3 = {{Chembox Thermochemistry |
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| molecular_weight = 176.12 g/] |
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| Reference = <ref>{{citation | last1 = Moureu | first1 = H. | last2 = Dode | first2 = M. | title = Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues | journal = Bull. Soc. Chim. Fr. | year = 1937 | volume = 4 | pages = 637–47}}.</ref> |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| DeltaHf = −532.8 kJ/mol |
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| 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 |
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| DeltaHc = −2479 kJ/mol |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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| 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 |
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| Section7 = {{Chembox Hazards |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| Reference = <ref name="ICSC">{{ICSC-ref|03|95|name=1,2-Butanediol|date=March 1996}}.</ref> |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| ExternalMSDS = |
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| synonyms = <small>L</small>-ascorbic acid |
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| EUIndex = not listed |
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| FlashPt = 90 °C |
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| density = 1.694 |
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| melting_point = 190 |
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}} |
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| boiling_point = 553 |
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| Section8 = {{Chembox Related |
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| OtherFunctn = ]<br/>]<br/>] |
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| Function = ]s |
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| OtherCpds = ]<br/>]<br/>]<br/>]<br/>] |
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}} |
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}} |
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}} |
