{"id":49489,"date":"2024-06-03T09:46:21","date_gmt":"2024-06-03T01:46:21","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49489"},"modified":"2024-06-03T09:46:21","modified_gmt":"2024-06-03T01:46:21","slug":"isoeugenyl-acetate","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49489","title":{"rendered":"Isoeugenyl acetate","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49488\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/b74c27330e304572acc9a777479304f2.gif\" width=\"333\" height=\"227\" alt=\"Isoeugenyl acetate 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>0264<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C12H14O3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>206.24<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         2-Methoxy-4-(1-propenyl)benzoic acid ethyl ester,<\/p>\n<p>                         3-Methoxy-4-acetoxyacrylbenzene,<\/p>\n<p>                         4-acetoxy-3-methoxy-(1-propenyl)benzene,<\/p>\n<p>                         2-Methoxy-4-propenylphenyl acetate<\/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>93-29-8<\/p>\n<p><b>MDL number:<\/b>MFCD00026984<\/p>\n<p><b>EINECS number:<\/b>202-236-1<\/p>\n<p><b>RTECS number:<\/b>SL7940000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24901118<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: White granular crystals.  It has a fruity ester aroma and a faint spicy flavor.  <\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): 1.087<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 29<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 282<\/p>\n<p>6. Boiling point (\u00baC, 0.4kPa): Undetermined<\/p>\n<p>  p&gt;<\/p>\n<p>7. Refractive index: Undetermined<\/p>\n<p>8. Flash point (\u00baC): Undetermined<\/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 (kPa, 25\u00baC): Undetermined<\/p>\n<p>12. Saturated vapor pressure (  kPa, 60\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<\/p>\n<p>18. Lower explosion limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Solubility in ethanol is 4%.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     None\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><p>1. Molar refractive index: 60.16<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 192.0<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 468.4<\/p>\n<p>4. Surface tension (dyne\/cm): 35.3<\/p>\n<p>5. Polarizability (10-24cm3): 23.85<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 2.4<\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 3<\/p>\n<p>4. Number of rotatable chemical bonds: 4<\/p>\n<p>5. Number of tautomers:<\/p>\n<p> 6. Topological molecular polar surface area.\ufffdTPSA): 35.5<\/p>\n<p>7. Number of heavy atoms: 15<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 235<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Number of determined atomic stereocenters: 0<\/p>\n<p>12. Number of uncertain atomic stereocenters: 0<\/p>\n<p>13. The number of determined stereocenters of chemical bonds: 1<\/p>\n<p>14. The number of uncertain stereocenters of chemical bonds: 0<\/p>\n<p>15. The 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><p> This product should be kept sealed, cool and dry.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     Boil iso-Euegnol and acetic anhydride in a reaction tank with an air condenser for 3 hours, then evaporate the acetic acid and residual acetic anhydride to obtain a solid, which is then refined by recrystallization with ethanol.\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Because of its stable aroma, it is used in soap fragrance.  It is commonly used in the preparation of sweeteners for floral and herbal flavors.  It is also commonly used as a fixative for carnation flavors and French flavors, and as a colloid agent for vanillin.  The aroma is similar to clove.  But it has a rose scent and a sweet pod-like scent.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39814\">https:\/\/www.newtopchem.com\/archives\/39814<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/cas-100-74-3-n-ethylmorpholine\/\">https:\/\/www.cyclohexylamine.net\/cas-100-74-3-n-ethylmorpholine\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44462\">https:\/\/www.newtopchem.com\/archives\/44462<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/bismuth-neodecanoate-cas34364-26-6-bismuth-neodecanoate\/\">https:\/\/www.bdmaee.net\/bismuth-neodecanoate-cas34364-26-6-bismuth-neodecanoate\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-33-LX--33-LX-catalyst-tertiary-amine-catalyst-33-LX.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-33-LX&#8211;33-LX-catalyst-tertiary-amine-catalyst-33-LX.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/lupragen-n205-catalyst-bisdimethylaminoethyl-ether-basf\/\">https:\/\/www.bdmaee.net\/lupragen-n205-catalyst-bisdimethylaminoethyl-ether-basf\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44959\">https:\/\/www.newtopchem.com\/archives\/44959<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45059\">https:\/\/www.newtopchem.com\/archives\/45059<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/99\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/99<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Di-n-octyltin-dilaurate-CAS3648-18-8-DOTDL.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Di-n-octyltin-dilaurate-CAS3648-18-8-DOTDL.pdf<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0264 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49488,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15486],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49489"}],"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=49489"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49489\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49488"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49489"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49489"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49489"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}