{"id":48144,"date":"2024-04-28T16:04:50","date_gmt":"2024-04-28T08:04:50","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48144"},"modified":"2024-04-28T16:04:50","modified_gmt":"2024-04-28T08:04:50","slug":"2-ethoxy-5-1-propenylphenol","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48144","title":{"rendered":"2-ethoxy-5-(1-propenyl)phenol","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48143\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/f0e6849fe9734df49be87aa83228f0b0.gif\" width=\"310\" height=\"227\" alt=\"2-ethoxy-5-(1-propenyl)phenol 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>028A<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C11H14O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>178.23<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         2-ethoxy-5-(1-propenyl)phenol,<\/p>\n<p>                         1-ethoxy-2-hydroxy-4-isopropylenebenzene,<\/p>\n<p>                         Rich and fragrant vanillin,<\/p>\n<p>                         Propenylguaethol,<\/p>\n<p>                         C2H5OC6H3(CH=CHCH3)OH<\/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>94-86-0<\/p>\n<p><b>MDL number:<\/b>MFCD00009283<\/p>\n<p><b>EINECS number:<\/b>202-370-0<\/p>\n<p><b>RTECS number:<\/b>SL3850000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24853639<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: scaly white crystals or powder.  It has a strong aroma similar to vanillin.  <\/p>\n<p>2. Density (g\/mL, 20\u2103): Undetermined<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 86-88<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, mmHg): Undetermined<\/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>  p&gt;<\/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) distribution 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: Easily soluble in most vegetable oils, edible solvents and essential oils  , extremely difficult to dissolve in water.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Acute toxicity: Rat oral LD50: 2400mg\/kg;<\/p>\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: 55.33<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 169.3<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 421.6<\/p>\n<p>4. Surface tension (dyne\/cm): 38.4<\/p>\n<p>5. Polarizability (10-24cm3): 21.93<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 2.9<\/p>\n<p>2. Number of hydrogen bond donors: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 3<\/p>\n<p>5. Number of tautomers: 3<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 29.5<\/p>\n<p>7. Number of heavy atoms: 13<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 166<\/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 stereocenters of determined chemical bonds: 1<\/p>\n<p>14. The number of stereocenters of uncertain 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>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     It is produced by alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenylbenzene in ethanol or methanol solution at 150~190\u2103 and under pressure; or in ethylene glycol solution at normal pressure  Hydrolyzed by heating.\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     GB 2760-1996 stipulates that edible spices are temporarily allowed to be used.  Mainly used as vanillin substitute and preparation of chocolate flavor.\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-dmdee-catalyst-cas110-18-9-evonik-germany\/\">https:\/\/www.bdmaee.net\/dabco-dmdee-catalyst-cas110-18-9-evonik-germany\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/138\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/138<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/77\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/77<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/catalyst-dabco-mb20-metal-catalyst-dabco-mb20\/\">https:\/\/www.morpholine.org\/catalyst-dabco-mb20-metal-catalyst-dabco-mb20\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Tetramethylpropanediamine-CAS110-95-2-TMPDA.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Tetramethylpropanediamine-CAS110-95-2-TMPDA.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/115-13.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/115-13.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/102-1.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/102-1.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44800\">https:\/\/www.newtopchem.com\/archives\/44800<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/anhydrous-tin-tetrachloride-cas-7646-78-8-tin-tetrachloride\/\">https:\/\/www.bdmaee.net\/anhydrous-tin-tetrachloride-cas-7646-78-8-tin-tetrachloride\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/addocat-106-teda-l33b-dabco-polycat\/\">https:\/\/www.cyclohexylamine.net\/addocat-106-teda-l33b-dabco-polycat\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 028A Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48143,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15122],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48144"}],"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=48144"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48144\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48143"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48144"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48144"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48144"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}