{"id":49620,"date":"2024-06-07T16:54:40","date_gmt":"2024-06-07T08:54:40","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49620"},"modified":"2024-06-07T16:54:40","modified_gmt":"2024-06-07T08:54:40","slug":"2-ethylbutyraldehyde","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49620","title":{"rendered":"2-Ethylbutyraldehyde","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49619\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/6c447cebb46e4aabb126a10d25888cdb.gif\" width=\"227\" height=\"227\" alt=\"2-ethylbutyraldehyde 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>02CY<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C6H12O<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>100.16<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         3-formylpentane,<\/p>\n<p>                         a-ethylbutyraldehyde,<\/p>\n<p>                         3-Formylpentane,<\/p>\n<p>                          2-Ethylbutanal<\/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>97-96-1<\/p>\n<p><b>MDL number:<\/b>MFCD00006985<\/p>\n<p><b>EINECS number:<\/b>202-623-5<\/p>\n<p><b>RTECS number:<\/b>ES2625000<\/p>\n<p><b>BRN number:<\/b>1209330<\/p>\n<p><b>PubChem number:<\/b>24846958<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: colorless liquid.  <\/p>\n<p>2. Density (g\/mL, 25\u2103): 0.81-0.84 <\/p>\n<p>3. Relative vapor density (g\/mL, air=1): 3.45<\/p>\n<p>4. Melting point (\u00baC): -89<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 117~119 (21.3kpa)<\/p>\n<p>6. Relative density (20\u2103,  4\u2103): 0.8150<\/p>\n<p>7. Refractive index <sub>(n<\/sub><sup>20<\/sup><sub>D)<\/sub>: 1.402<\/p>\n<p>8. Flash point (\u00baC): 21.1<\/p>\n<p>9. Relative density (25\u2103, 4\u2103): 0.8106<\/p>\n<p>10. Refractive index at room temperature (n<sup>20<\/sup>): 1.4024<\/p>\n<p>11. Refractive index at room temperature (n<sup>25<\/sup>): 1.4002<\/p>\n<p>12. Saturated vapor pressure (kPa, 20\u00baC): 1.83<\/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): 7.7<\/p>\n<p>18. Lower explosion limit (%, V\/V): 1.2<\/p>\n<p>19. Solubility: Insoluble in water, miscible in alcohol and ether.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     1. Skin\/eye irritation: Start irritation test: rabbit skin contact, 500mgREACTION SEVERITY, slight reaction; 2. Acute toxicity: rat oral LD50: 3980mg\/kg; rat inhalation LCLo: 8000ppm\/4H; rabbit skin contact LD50  :5990\u03bcL\/kg;\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p><p>This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.  <\/p>\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 29.99<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 125.2<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 277.1<\/p>\n<p>4. Surface tension (dyne\/cm): 23.9<\/p>\n<p>5. Polarizability (10-24cm3): 11.88<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): 1.5<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3.\ufffdNumber of \ufffd bond receptors: 1<\/p>\n<p>4. Number of rotatable chemical bonds: 3<\/p>\n<p>5. Number of tautomers: 2<\/p>\n<p>6. Topological molecules  Polar surface area 17.1<\/p>\n<p>7. Number of heavy atoms: 7<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 46.1<\/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. Determined number of stereocenters of chemical bonds: 0<\/p>\n<p>14. Uncertain number of stereocenters of chemical bonds: 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 strong oxidants, strong alkali, strong reducing agents and air.  <\/p>\n<p>2. Found in flue-cured tobacco leaves.  <\/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.  The storage temperature should not exceed 10\u2103.  The packaging must be sealed and must not come into contact with air.  They should be stored separately from oxidants, reducing agents, alkalis, etc. and avoid mixed storage.  Use explosion-proof lighting and ventilation facilities.  It is prohibited to use mechanical equipment and tools that are prone to sparks.  The storage area should be equipped with emergency release equipment and suitable containment materials.\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>1. It is formed by the condensation of diethylmethanol and anhydrous oxalic acid or sulfuric acid.  <br \/>2. The new method is obtained by reacting a-Z, alkenyl crotonal with iron filings and acetic acid.  <\/p>\n<p>3. Tobacco: FC, 40.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Used in organic synthesis, mixed with triethylaluminum and used as a two-component igniter in rocket propulsion systems.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44272\">https:\/\/www.newtopchem.com\/archives\/44272<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-amine-catalyst-soft-foam-catalyst-dabco\/\">https:\/\/www.cyclohexylamine.net\/dabco-amine-catalyst-soft-foam-catalyst-dabco\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cyclohexylamine-series-products-2\/\">https:\/\/www.bdmaee.net\/cyclohexylamine-series-products-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/niax-a-1\/\">https:\/\/www.bdmaee.net\/niax-a-1\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/40.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/40.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/n-dimethylaminopropyldiisopropanolamine-cas-63469-23-8\/\">https:\/\/www.cyclohexylamine.net\/n-dimethylaminopropyldiisopropanolamine-cas-63469-23-8\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/52.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/52.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/25.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/25.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44097\">https:\/\/www.newtopchem.com\/archives\/44097<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/drier-butyl-tin-oxide-FASCAT-4101.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/drier-butyl-tin-oxide-FASCAT-4101.pdf<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02CY Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49619,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15514],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49620"}],"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=49620"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49620\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49619"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49620"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49620"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49620"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}