{"id":49323,"date":"2024-05-28T18:02:48","date_gmt":"2024-05-28T10:02:48","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49323"},"modified":"2024-05-28T18:02:48","modified_gmt":"2024-05-28T10:02:48","slug":"2-methylpentanoic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49323","title":{"rendered":"2-Methylpentanoic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49322\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/07b64d9dad8544038ac7cb27cac6596d.gif\" width=\"270\" height=\"227\" alt=\"2-methylpentanoic 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>02CE<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C6H12O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>116.16<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         a-methylpentanoic acid,<\/p>\n<p>                         Methylpropyl acetate,<\/p>\n<p>                         2-Methylpentanoic acid,<\/p>\n<p>                         a-Methylvaleric acid,<\/p>\n<p>                         Methylpropylacetic acid,<\/p>\n<p>                         acidic solvent<\/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>97-61-0<\/p>\n<p><b>MDL number:<\/b>MFCD00002671<\/p>\n<p><b>EINECS number:<\/b>202-594-9<\/p>\n<p><b>RTECS number:<\/b>YV7700000<\/p>\n<p><b>BRN number:<\/b>1720655<\/p>\n<p><b>PubChem number:<\/b>24901311<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<ol type=\"1\">\n<li>Characteristics: It solidifies like ice at room temperature, and becomes a colorless liquid above room temperature.  Strong pungent spicy smell.  <\/li>\n<li>Density (g\/mL, 20\u2103): 0.931 <\/li>\n<li>Relative density (20\u2103, 4\u2103): 0.9230<\/li>\n<li>Melting point (\u00baC): -85  <\/li>\n<li>Boiling point (\u00baC, normal pressure): 195.6~197<\/li>\n<li>Refractive index at normal temperature (n<sup>20<\/sup>): 1.4136<\/li>\n<li>Refractive index  <sub>(n<\/sub><sup>20<\/sup><sub>D)<\/sub>: 1.414<\/li>\n<li>Flash point (\u00baC): 91<\/li>\n<li>Ratio  Optical rotation (\u00ba): Not determined<\/li>\n<li>Autoignition point or ignition temperature (\u00baC): 378<\/li>\n<li>Vapor pressure (mmHg,\u00baC): Not determined<\/li>\n<li>  Saturated vapor pressure (kPa, \u00baC): Undetermined<\/li>\n<li>Heat of combustion (KJ\/mol): Undetermined<\/li>\n<li>Critical temperature (\u00baC): Undetermined<\/li>\n<li>  Critical pressure (KPa): Undetermined<\/li>\n<li>Log value of oil-water (octanol\/water) partition coefficient: Undetermined<\/li>\n<li>Explosion upper limit (%, V\/V): 63<\/li>\n<li>  li&gt;\n<li>Lower explosion limit (%, V\/V): 1.3<\/li>\n<li>Solubility: soluble in water and ethanol, miscible with some essential oils.  <\/li>\n<\/ol>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     1. Skin\/eye irritation: Start irritation test: rabbit skin contact, 500mgREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit skin contact, 500mg\/24HREACTION SEVERITY, moderate reaction; 2. Acute toxicity: Rat oral LD50  :2040mg\/kg; Rabbit skin contact LD50: 2500mg\/kg;\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: 31.36<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 122.5<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 290.0<\/p>\n<p>4. Surface tension (dyne\/cm): 31.3<\/p>\n<p>5. Polarizability (10-24cm3): 12.43<\/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: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 3<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 37.3<\/p>\n<p>7. Number of heavy atoms: 8<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 78.6<\/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: 1<\/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>1. Avoid contact with oxides and alkali.  <\/p>\n<p>2. Exist in flue-cured tobacco leaves, oriental tobacco leaves, and mainstream smoke.  <\/p>\n<p>3. Naturally found in guava, pepper, and black tea.  <\/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.  They should be stored separately from oxidants and strong alkali, and avoid mixed storage.  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     1. Tobacco: OR, 44, 49; FC, 40; prepared by catalytic hydrogenation of 2-methylvaleraldehyde or by reaction of 2-chloropentane with sodium and carbon dioxide under pressure.\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>1. Used in baked goods, frozen dairy products, and puddings.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-ne600-catalyst-cas10861-07-1-evonik-germany\/\">https:\/\/www.bdmaee.net\/dabco-ne600-catalyst-cas10861-07-1-evonik-germany\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-pc5-catalyst-cas3030-47-5-newtopchem\/\">https:\/\/www.bdmaee.net\/nt-cat-pc5-catalyst-cas3030-47-5-newtopchem\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dibutyltin-oxide\/\">https:\/\/www.bdmaee.net\/dibutyltin-oxide\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/category\/product\/page\/22\/\">https:\/\/www.cyclohexylamine.net\/category\/product\/page\/22\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45053\">https:\/\/www.newtopchem.com\/archives\/45053<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/16.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/16.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-BX405-low-odor-amine-catalyst-BX405--BX405-polyurethane-catalyst.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/-BX405-low-odor-amine-catalyst-BX405&#8211;BX405-polyurethane-catalyst.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/929\">https:\/\/www.newtopchem.com\/archives\/929<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/anhydrous-tin-chloride\/\">https:\/\/www.bdmaee.net\/anhydrous-tin-chloride\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45145\">https:\/\/www.newtopchem.com\/archives\/45145<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02CE Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49322,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15442],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49323"}],"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=49323"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49323\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49322"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49323"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49323"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49323"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}