| Revision as of 15:14, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464377212 of page Isopentane 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 = 443886500 |
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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 = Isopentane |
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| image = L-Ascorbic_acid.svg |
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| ImageFile = 2-methylbutane-2D-skeletal.svg |
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| ImageSize = 140px |
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| width = 200px |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| ImageName = Isopentane |
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| width2 = 200px |
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| ImageFile1 = Isopentane-3D-balls.png |
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| ImageSize1 = 140px |
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<!--Clinical data--> |
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| ImageName1 = Isopentane |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| IUPACName = 2-Methylbutane |
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| licence_EU = <!-- EMEA requires brand name --> |
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| OtherNames = Methylbutane |
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| licence_US = <!-- FDA may use generic name --> |
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| Section1 = {{Chembox Identifiers |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| ChEBI = 30362 |
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| pregnancy_category = A |
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| SMILES = CC(C)CC |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| ChemSpiderID = 6308 |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| legal_status = general public availability |
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| routes_of_administration = oral |
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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 = 29073 |
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| PubChem = 5785 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB00126 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10189562 |
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| NIAID_ChemDB = 002072 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = ZH67814I0O |
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| UNII = PQ6CK8PD0R |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| InChI = 1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 |
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| KEGG = D00018 |
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| InChIKey = QWTDNUCVQCZILF-UHFFFAOYAE |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 196 |
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<!--Chemical data--> |
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| chemical_formula = |
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| C=6 | H=7 | O=6 |
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| molecular_weight = 176.12 g/] |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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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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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 |
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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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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = QWTDNUCVQCZILF-UHFFFAOYSA-N |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| synonyms = <small>L</small>-ascorbic acid |
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| CASNo = 78-78-4 |
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| density = 1.694 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| melting_point = 190 |
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| RTECS = EK4430000 |
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| boiling_point = 553 |
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}} |
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| Section2 = {{Chembox Properties |
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| Formula = C<sub>5</sub>H<sub>12</sub> |
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| MolarMass = 72.15 g/mol |
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| Appearance = colorless liquid |
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| Density = 0.616 g/ml, liquid<ref name="Wei"/> |
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| Solubility = Immiscible |
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| MeltingPt = −159.9 °C (113.3 K)<ref name="Wei"/> |
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| BoilingPt = 27.7 °C (300.9 K)<ref name="Wei"> |
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James Wei (1999), ''Molecular Symmetry, Rotational Entropy, and Elevated Melting Points''. Ind. Eng. Chem. Res., volume 38 issue 12, pp. 5019–5027 {{doi:10.1021/ie990588m}} |
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</ref> |
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}} |
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| Section4 = {{Chembox Thermochemistry |
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| DeltaHf = −179 kJ/mol |
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| DeltaHc = −3504 kJ/mol |
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| Entropy = 260.7 J·K<sup>−1</sup>·mol<sup>−1</sup> |
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}} |
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| Section7 = {{Chembox Hazards |
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| ExternalMSDS = |
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| EUClass = Highly flammable ('''F+''')<br />Harmful ('''Xn''')<br />Dangerous for<br />the environment ('''N''') |
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| NFPA-H = 1 |
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| NFPA-F = 4 |
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| NFPA-R = |
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| RPhrases = {{R12}}, {{R51/53}}, {{R65}},<br />{{R66}}, {{R67}} |
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| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S29}},<br />{{S33}}, {{S61}}, {{S62}} |
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| FlashPt = <−51 °C |
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| Autoignition = 420 °C |
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| ExploLimits = 1.4–7.6% |
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}} |
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| Section8 = {{Chembox Related |
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| Function = ] |
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| OtherFunctn = ]<br />]<br />] |
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| OtherCpds = ]<br />] |
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}} |
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}} |
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}} |
