{"id":48612,"date":"2024-05-11T17:57:01","date_gmt":"2024-05-11T09:57:01","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48612"},"modified":"2024-05-11T17:57:01","modified_gmt":"2024-05-11T09:57:01","slug":"23-heptanedione","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48612","title":{"rendered":"2,3-Heptanedione","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48611\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/4bfe9168530b41fb8a1eebd39d1d4817.gif\" width=\"198\" height=\"227\" alt=\"2,3-heptanedione 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>02AA<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C7H12O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>128.17<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         2,3-heptanedione,<\/p>\n<p>                         Acetyl valeryl,<\/p>\n<p>                         CH3(CH2)3COCOCH3<\/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>96-04-8<\/p>\n<p><b>MDL number:<\/b>MFCD00036550<\/p>\n<p><b>EINECS number:<\/b>202-472-5<\/p>\n<p><b>RTECS number:<\/b>None<\/p>\n<p><b>BRN number:<\/b>1700989<\/p>\n<p><b>PubChem number:<\/b>24901130<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: slightly yellow liquid.  <\/p>\n<p>2. Density (g\/mL, 20\u2103): 0.92 <\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): Undetermined<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, 18mmHg): 64 <\/p>\n<p>7. Refractive index: 1.415<\/p>\n<p>8. Flash point (\u00baC): 41<\/p>\n<p>9. Specific rotation (\u00ba): Undetermined<\/p>\n<p>  10. Autoignition point or ignition temperature (\u00baC): Undetermined<\/p>\n<p>11. Vapor pressure (mmHg, \u00baC): Undetermined<\/p>\n<p>12. Saturated vapor pressure (kPa, \u00baC)  : Undetermined<\/p>\n<p>13. Heat of combustion (KJ\/mol): Undetermined<\/p>\n<p>14. Critical temperature (\u00baC): Undetermined<\/p>\n<p>15. Critical pressure  (KPa): Undetermined<\/p>\n<p>16. Log value of oil-water (octanol\/water) partition coefficient: Undetermined<\/p>\n<p>17. Explosion upper limit (%, V\/V): Undetermined  Determined<\/p>\n<p>18. Lower explosion limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Slightly soluble in water, soluble in ethanol.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     None yet\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p><p>This substance is slightly hazardous to water.  <\/p>\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 34.53<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 138.3<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 320.7<\/p>\n<p>4. Surface tension (dyne\/cm): 28.9<\/p>\n<p>5. Polarizability (10-24cm3): 13.69<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 1<\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 4<\/p>\n<p>5. Number of tautomers: 13<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 34.1<\/p>\n<p>  p&gt;<\/p>\n<p>7. Number of heavy atoms: 9<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 116<\/p>\n<p>10. Number of isotope atoms  : 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 0<\/p>\n<p>13. Determine the chemical bond configuration  centerQuantity: 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><p>Avoid contact with oxidizing agents.  <\/p>\n<\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     Store in a cool, ventilated warehouse.  Keep away from fire, heat sources and anti-static.  The packaging is sealed.  should be kept away from oxidizer, do not store together.  Equipped with the appropriate variety and quantity of fire equipment.  Suitable materials should be available in the storage area to contain spills.\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>Synthesized from butyl acetoacetate and ethyl butyl ketone or mevalyl ketone.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Mainly used for flavors such as cream, cheese, nuts, and rum.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/polyurethane-catalyst-a-300-polyurethane-delay-catalyst-a-300\/\">https:\/\/www.cyclohexylamine.net\/polyurethane-catalyst-a-300-polyurethane-delay-catalyst-a-300\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/category\/product\/page\/24\/\">https:\/\/www.cyclohexylamine.net\/category\/product\/page\/24\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-pt305-reactive-amine-catalyst-pt305-dabco-amine-catalyst\/\">https:\/\/www.bdmaee.net\/dabco-pt305-reactive-amine-catalyst-pt305-dabco-amine-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/jeffcat-zf-26-catalyst-cas3033-62-3-huntsman\/\">https:\/\/www.bdmaee.net\/jeffcat-zf-26-catalyst-cas3033-62-3-huntsman\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-xd-102-dabco-amine-catalyst\/\">https:\/\/www.cyclohexylamine.net\/dabco-xd-102-dabco-amine-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/high-quality-triethylenediamine-cas-280-57-9-dabco-teda\/\">https:\/\/www.cyclohexylamine.net\/high-quality-triethylenediamine-cas-280-57-9-dabco-teda\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/tertiary-amine-catalyst-dabco-pt303-catalyst-dabco-pt303\/\">https:\/\/www.cyclohexylamine.net\/tertiary-amine-catalyst-dabco-pt303-catalyst-dabco-pt303\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/31-10.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/31-10.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/amine-catalyst-b16-soft-foam-amine-catalyst-b16\/\">https:\/\/www.cyclohexylamine.net\/amine-catalyst-b16-soft-foam-amine-catalyst-b16\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-mb20-catalyst-cas-68007-43-3-newtopchem\/\">https:\/\/www.bdmaee.net\/nt-cat-mb20-catalyst-cas-68007-43-3-newtopchem\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02AA Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48611,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[24,15249],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48612"}],"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=48612"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48612\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48611"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48612"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48612"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48612"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}