{"id":49686,"date":"2024-06-11T17:58:01","date_gmt":"2024-06-11T09:58:01","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49686"},"modified":"2024-06-11T17:58:01","modified_gmt":"2024-06-11T09:58:01","slug":"17%ce%b1-estradiol","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49686","title":{"rendered":"17\u03b1-estradiol","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49685\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/256013e95c0a49e6af7f0452a98eeb4f.gif\" width=\"293\" height=\"186\" alt=\"17\u03b1-estradiol structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>0193<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C18H24O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>272.38<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,3,5(10)estratriene-3,17\u03b1-diol,<\/p>\n<p>                         1,3,5(10)-Estratriene-3,17\u03b1-diol,<\/p>\n<p>                          3,17\u03b1-Dihydroxy-1,3,5(10)-estratriene<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>57-91-0<\/p>\n<p><b>MDL number:<\/b>MFCD00064144<\/p>\n<p><b>EINECS number:<\/b>200-354-8<\/p>\n<p><b>RTECS number:<\/b>KG3750000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24894682<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Character: Hemihydrate is  Needle crystal<\/SPAN><SPAN>(80%<\/SPAN><SPAN>Ethanol<\/SPAN><SPAN>)<\/SPAN><SPAN>.  <\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Density (<\/SPAN>  <SPAN>g\/mL,25\/4<\/SPAN><SPAN>\u2103)  \uff1a<\/SPAN><SPAN>1.04<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Relative vapor density (<\/SPAN><SPAN>g\/mL,<\/SPAN><SPAN>AIR<\/SPAN><SPAN>=1<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Melting point (<\/SPAN>  <SPAN>\u00baC<\/SPAN><SPAN>): <\/SPAN><SPAN>220<\/SPAN><SPAN>~<\/SPAN><SPAN>223<\/SPAN><SPAN>\u2103<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN>  <SPAN>\u00baC,<\/SPAN><SPAN>Normal pressure): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN>  <SPAN>\u00baC, 1.33Pa<\/SPAN><SPAN>\uff09<\/SPAN>  <SPAN>:<\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Refractive Index: Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Flashpoint (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>9.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Specific optical rotation (<\/SPAN><SPAN>\u00ba<\/SPAN><SPAN>):<\/SPAN>  <SPAN>+53\u00b0<\/SPAN><SPAN>\uff5e<\/SPAN><SPAN>56\u00b0(c=0.9<\/SPAN><SPAN>, dioxane  Ring<\/SPAN><SPAN>)<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>10.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Autoignition point or ignition temperature  (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Not  OK<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>11.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Vapor pressure (<\/SPAN><SPAN>kPa,25\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>12.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Saturation vapor pressure (<\/SPAN><SPAN>kPa,60\u00baC<\/SPAN><SPAN>): Undetermined  <\/SPAN><SPAN><\/SPAN>  <\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>13.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>heat of combustion (<\/SPAN><SPAN>KJ\/mol<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>14.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Critical temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>15.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Critical Pressure (<\/SPAN><SPAN>KPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>16.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Oil and water (octanol<\/SPAN><SPAN>\/<\/SPAN><SPAN>Logarial value of the partition coefficient for water: undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>17.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Not  OK<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>18.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Lower explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Not  OK<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Solubility: soluble in ethanol  , acetone and alkaline aqueous solution, <\/SPAN><SPAN>1g<\/SPAN><SPAN>Soluble in greater than<\/SPAN><SPAN>100ml<\/SPAN><SPAN>Boiling benzene, slightly soluble in ether and chloroform, insoluble in water and dilute acid.  <\/SPAN><SPAN><\/SPAN>  <\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN> <\/SPAN><\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, Carcinogenicity:  Guinea pig intramuscular <SPAN>TDLo<\/SPAN>: <SPAN>3mg\/kg<\/SPAN><\/SPAN><br \/>\n <SPAN><SPAN><SPAN>2<\/SPAN><SPAN>, mutagenicity: <SPAN>DNA<\/SPAN>&#8216;s  EN-US&gt;inhibitionTEST<\/SPAN> system: human cells <SPAN>&#8211;<\/SPAN>not otherwise specified: <SPAN>100mg\/L<\/SPAN><\/SPAN>  <\/SPAN><\/SPAN>\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN>5. Molecular property data:<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index: <\/SPAN>  <SPAN>79..50<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>\uff09\uff1a<\/SPAN><SPAN>232.6<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>isotonic specific volume (<\/SPAN><SPAN>90.2K<\/SPAN><SPAN>):<\/SPAN><SPAN>615.4<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface Tension (<\/SPAN><SPAN>dyne\/cm<\/SPAN><SPAN>):<\/SPAN><SPAN>48.9<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>\uff08<\/SPAN><SPAN>10<SUP>-24<\/SUP>cm<SUP>3<\/SUP><\/SPAN><SPAN>):<\/SPAN><SPAN>31.51<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN> <\/SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): None<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 2<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: 9<\/p>\n<p>6. Topological molecule polar surface area 40.5<\/p>\n<p>7. Number of heavy atoms: 20<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 382<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 5<\/p>\n<p>12. Uncertain number of atomic stereocenters: 0<\/p>\n<p>13. Determine the number of chemical bond stereocenters: 0  <\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 1<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     <P><SPAN>Punica granatum L. from the family Pomegranate<\/SPAN><SPAN>(Punica granatum L.)<\/SPAN><SPAN>.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     <P><SPAN>Treatment of functional uterine bleeding, primary amenorrhea, menopausal syndrome, etc.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44444\">https:\/\/www.newtopchem.com\/archives\/44444<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39408\">https:\/\/www.newtopchem.com\/archives\/39408<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Catalyst--BX405-BX405-polyurethane-catalyst--BX405.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Catalyst&#8211;BX405-BX405-polyurethane-catalyst&#8211;BX405.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/173\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/173<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/retardation-catalyst-c-225\/\">https:\/\/www.bdmaee.net\/retardation-catalyst-c-225\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/2-2-aminoethylaminoethanol\/\">https:\/\/www.cyclohexylamine.net\/2-2-aminoethylaminoethanol\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tegoamin-bde-100\/\">https:\/\/www.bdmaee.net\/tegoamin-bde-100\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45234\">https:\/\/www.newtopchem.com\/archives\/45234<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/catalyst-a300\/\">https:\/\/www.bdmaee.net\/catalyst-a300\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/reactive-foaming-catalyst\/\">https:\/\/www.bdmaee.net\/reactive-foaming-catalyst\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0193 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49685,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15521],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49686"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=49686"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49686\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49685"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49686"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49686"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49686"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}