{"id":48138,"date":"2024-04-28T15:59:03","date_gmt":"2024-04-28T07:59:03","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48138"},"modified":"2024-04-28T15:59:03","modified_gmt":"2024-04-28T07:59:03","slug":"4-4-chloro-2-methylphenoxybutyric-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48138","title":{"rendered":"4-(4-Chloro-2-methylphenoxy)butyric acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48137\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/555e9c52ce0e4f2e822779050a75a0e6.gif\" width=\"349\" height=\"227\" alt=\"4-(4-chloro-2-methylphenoxy)butyric acid 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>0287<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C11H13ClO3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>228<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         2-Methyl-4-chlorobutyric acid,<\/p>\n<p>                         2-Methyl-4-chlorophenoxybutyric acid,<\/p>\n<p>                         Bexone, Thitrol, Trifolex,<\/p>\n<p>                         herbicide<\/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>94-81-5<\/p>\n<p><b>MDL number:<\/b>MFCD00002820<\/p>\n<p><b>EINECS number:<\/b>202-365-3<\/p>\n<p><b>RTECS number:<\/b>ES8575000<\/p>\n<p><b>BRN number:<\/b>2215202<\/p>\n<p><b>PubChem number:<\/b>24862225<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: Crystalline solid.  <\/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): 99\uff5e100<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, KPa): 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: Insoluble in water, phenol, soluble in ethanol.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Acute toxicity: Rat oral LD50: 680mg\/kg; Mouse oral LD50: 800mg\/kg; <\/p>\n<p>2. Mutagenicity<\/p>\n<p>Yeast gene conversion  And mitotic recombination: 13500\u03bcmol\/L;<\/p>\n<\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     Slightly harmful to water.\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 58.11<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 185.8<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 478.6<\/p>\n<p>4. Surface tension (dyne\/cm): 44.0<\/p>\n<p>5. Polarizability (10-24cm3): 23.03<\/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: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 3<\/p>\n<p>4. Number of rotatable chemical bonds: 5<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 46.5<\/p>\n<p>7. Number of heavy atoms: 15<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 208<\/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 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><p>Avoid contact with oxides.  <\/p>\n<\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     Store in a cool, ventilated warehouse.  Keep away from fire and heat sources.  Protect from direct sunlight.  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>\n     This product is produced by the reaction of 2-methyl-4-chlorophenol and \u03b3-butyrolactone.\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     Used as agricultural herbicide.\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.morpholine.org\/category\/morpholine\/page\/5401\/\">https:\/\/www.morpholine.org\/category\/morpholine\/page\/5401\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/strong-gel-catalyst\/\">https:\/\/www.bdmaee.net\/strong-gel-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/23\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/23<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/main-9\/\">https:\/\/www.cyclohexylamine.net\/main-9\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45013\">https:\/\/www.newtopchem.com\/archives\/45013<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/40487\">https:\/\/www.newtopchem.com\/archives\/40487<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fascat4201-catalyst-cas-818-08-6-dibutyl-tin-oxide\/\">https:\/\/www.bdmaee.net\/fascat4201-catalyst-cas-818-08-6-dibutyl-tin-oxide\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45523\">https:\/\/www.newtopchem.com\/archives\/45523<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/chloriddi-n-butylcinicityczech\/\">https:\/\/www.bdmaee.net\/chloriddi-n-butylcinicityczech\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/pentamethyldipropene-triamine-cas-3855-32-1\/\">https:\/\/www.cyclohexylamine.net\/pentamethyldipropene-triamine-cas-3855-32-1\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0287 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48137,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15119],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48138"}],"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=48138"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48138\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48137"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48138"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48138"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48138"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}